N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide

C28H39N5O3 — CID 143048942

IUPACN-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H39N5O3/c1-5-33(6-2)17-9-10-20(3)30-27(34)26(18-21-19-29-25-12-8-7-11-24(21)25)32-28(35)31-22-13-15-23(36-4)16-14-22/h7-8,11-16,19-20,26,29H,5-6,9-10,17-18H2,1-4H3,(H,30,34)(H2,31,32,35)
InChIKeyHUBUVTQJJAJNIH-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.54
Rot. Bonds13

About N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide

N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide (PubChem CID 143048942) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
PubChem CID143048942
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H39N5O3/c1-5-33(6-2)17-9-10-20(3)30-27(34)26(18-21-19-29-25-12-8-7-11-24(21)25)32-28(35)31-22-13-15-23(36-4)16-14-22/h7-8,11-16,19-20,26,29H,5-6,9-10,17-18H2,1-4H3,(H,30,34)(H2,31,32,35)
InChIKeyHUBUVTQJJAJNIH-UHFFFAOYSA-N
XLogP4.54
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)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

(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
CID 10072609
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
N-butyl-4-[3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanoyl]-2-methylpiperazine-1-carboxamide
CID 42708893
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325855
N-(2-cyanoethyl)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide
CID 87927834
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
ethyl 3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]propanoyl]amino]propanoate
CID 131719109

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide (CID 143048942) is N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide is CCN(CC)CCCC(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide?
The InChIKey is HUBUVTQJJAJNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-5-33(6-2)17-9-10-20(3)30-27(34)26(18-21-19-29-25-12-8-7-11-24(21)25)32-28(35)31-22-13-15-23(36-4)16-14-22/h7-8,11-16,19-20,26,29H,5-6,9-10,17-18H2,1-4H3,(H,30,34)(H2,31,32,35).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide?
N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide has a molecular weight of 493.65 g/mol, XLogP of 4.54, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 143048942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).