N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide

C23H29N3O2 — CID 143411704

IUPACN-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide
SMILESCC(C)c1[nH]c2ccccc2c1CCNCc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C23H29N3O2/c1-16(2)23-20(19-5-3-4-6-21(19)25-23)13-14-24-15-18-9-7-17(8-10-18)11-12-22(27)26-28/h3-10,16,24-25,28H,11-15H2,1-2H3,(H,26,27)
InChIKeyVCLBXQLMVNHEKA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.06
Rot. Bonds9

About N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide

N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide (PubChem CID 143411704) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide
PubChem CID143411704
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide
SMILESCC(C)c1[nH]c2ccccc2c1CCNCc1ccc(CCC(=O)NO)cc1
InChIInChI=1S/C23H29N3O2/c1-16(2)23-20(19-5-3-4-6-21(19)25-23)13-14-24-15-18-9-7-17(8-10-18)11-12-22(27)26-28/h3-10,16,24-25,28H,11-15H2,1-2H3,(H,26,27)
InChIKeyVCLBXQLMVNHEKA-UHFFFAOYSA-N
XLogP4.06
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[2-(benzylamino)ethyl]-1H-indol-2-yl]-3-hydroxypropanoate
CID 10020901
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;hydrate
CID 76972289
ethane;(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 156839616
(Z)-2-fluoro-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 53302619
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate
CID 158441021
N-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 123838502
N-hydroxy-3-[(6S)-5-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-bicyclo[4.1.0]hept-4-enyl]propanamide
CID 163550043
methyl (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enoate;oxalic acid
CID 134521573
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-N',N'-dipropylprop-2-enehydrazide
CID 155539715
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-nitrophenyl]prop-2-enamide
CID 20579387

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide?
The IUPAC name of N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide (CID 143411704) is N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide.
What is the SMILES notation for N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide?
The canonical SMILES for N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide is CC(C)c1[nH]c2ccccc2c1CCNCc1ccc(CCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide?
The InChIKey is VCLBXQLMVNHEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)23-20(19-5-3-4-6-21(19)25-23)13-14-24-15-18-9-7-17(8-10-18)11-12-22(27)26-28/h3-10,16,24-25,28H,11-15H2,1-2H3,(H,26,27).
What are the key properties of N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide?
N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.06, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[[2-(2-propan-2-yl-1H-indol-3-yl)ethylamino]methyl]phenyl]propanamide is sourced from PubChem (CID 143411704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).