(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide

C33H44N4O3 — CID 170703764

IUPAC(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide
SMILESCCCNNC(=O)/C=C/c1ccc(CN(CCOCCC(=O)C2CCCC2)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C33H44N4O3/c1-2-19-35-36-33(39)16-15-26-11-13-27(14-12-26)25-37(20-17-29-24-34-31-10-6-5-9-30(29)31)21-23-40-22-18-32(38)28-7-3-4-8-28/h5-6,9-16,24,28,34-35H,2-4,7-8,17-23,25H2,1H3,(H,36,39)/b16-15+
InChIKeyPMDRHBNSZKGOCK-FOCLMDBBSA-N
MW544.74 g/mol
LogP5.42
Rot. Bonds17

About (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide

(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide (PubChem CID 170703764) has the molecular formula C33H44N4O3 and a molecular weight of 544.74 g/mol. Its IUPAC name is (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide
PubChem CID170703764
Molecular FormulaC33H44N4O3
Molecular Weight544.74 g/mol
Exact Mass544.34
IUPAC Name(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide
SMILESCCCNNC(=O)/C=C/c1ccc(CN(CCOCCC(=O)C2CCCC2)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C33H44N4O3/c1-2-19-35-36-33(39)16-15-26-11-13-27(14-12-26)25-37(20-17-29-24-34-31-10-6-5-9-30(29)31)21-23-40-22-18-32(38)28-7-3-4-8-28/h5-6,9-16,24,28,34-35H,2-4,7-8,17-23,25H2,1H3,(H,36,39)/b16-15+
InChIKeyPMDRHBNSZKGOCK-FOCLMDBBSA-N
XLogP5.42
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 90853890
2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl N-(cyclopropylmethyl)carbamate
CID 20579313
2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl N-[2-(1H-indol-3-yl)ethyl]carbamate
CID 20579304
2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl N-(furan-2-ylmethyl)carbamate
CID 20579306
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
(E)-3-[4-[[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 166057415
4-[2-(1H-indol-3-yl)ethyl-[[4-[(E)-4-methyl-3-oxopent-1-enyl]phenyl]methyl]amino]-N-methylbutanamide
CID 142124083
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl(1H-indol-3-ylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 20579430
(E)-3-[4-[[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-methylprop-2-enamide
CID 167565743
(E)-N-hydroxy-3-[(1R)-1-[(4-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922900
(E)-N-hydroxy-3-[1-[2-(2-hydroxyethoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614458
(E)-3-[4-[[ethyl-[2-(1H-indol-4-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150331

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide?
The IUPAC name of (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide (CID 170703764) is (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide?
The canonical SMILES for (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide is CCCNNC(=O)/C=C/c1ccc(CN(CCOCCC(=O)C2CCCC2)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide?
The InChIKey is PMDRHBNSZKGOCK-FOCLMDBBSA-N. The full InChI is InChI=1S/C33H44N4O3/c1-2-19-35-36-33(39)16-15-26-11-13-27(14-12-26)25-37(20-17-29-24-34-31-10-6-5-9-30(29)31)21-23-40-22-18-32(38)28-7-3-4-8-28/h5-6,9-16,24,28,34-35H,2-4,7-8,17-23,25H2,1H3,(H,36,39)/b16-15+.
What are the key properties of (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide?
(E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide has a molecular weight of 544.74 g/mol, XLogP of 5.42, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(3-cyclopentyl-3-oxopropoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N'-propylprop-2-enehydrazide is sourced from PubChem (CID 170703764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).