N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide

C26H23N5O3 — CID 10072609

IUPACN-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
SMILESN#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N5O3/c27-14-15-28-25(32)24(16-18-17-29-23-9-5-4-8-22(18)23)31-26(33)30-19-10-12-21(13-11-19)34-20-6-2-1-3-7-20/h1-13,17,24,29H,15-16H2,(H,28,32)(H2,30,31,33)
InChIKeyJIQVMYBUZAGONL-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.33
Rot. Bonds8

About N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide

N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide (PubChem CID 10072609) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
PubChem CID10072609
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC NameN-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
SMILESN#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N5O3/c27-14-15-28-25(32)24(16-18-17-29-23-9-5-4-8-22(18)23)31-26(33)30-19-10-12-21(13-11-19)34-20-6-2-1-3-7-20/h1-13,17,24,29H,15-16H2,(H,28,32)(H2,30,31,33)
InChIKeyJIQVMYBUZAGONL-UHFFFAOYSA-N
XLogP4.33
TPSA119.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide 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

N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide
CID 10343791
N-(2-cyanoethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide
CID 87927834
N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide
CID 10340528
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
(2S)-2-(carbamoylamino)-N-[4-(2-cyanophenoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 171359781
N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 143048942
ethyl 3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]propanoyl]amino]propanoate
CID 131719109
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanamide
CID 19003159
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide (CID 10072609) is N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide is N#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
The InChIKey is JIQVMYBUZAGONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c27-14-15-28-25(32)24(16-18-17-29-23-9-5-4-8-22(18)23)31-26(33)30-19-10-12-21(13-11-19)34-20-6-2-1-3-7-20/h1-13,17,24,29H,15-16H2,(H,28,32)(H2,30,31,33).
What are the key properties of N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide?
N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide has a molecular weight of 453.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 10072609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).