N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide

C22H29N3O3 — CID 124847725

IUPACN-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)NC[C@@H](CO)Cc2ccc(C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-23-21(27)20-6-4-5-18(12-20)13-24-22(28)25-14-19(15-26)11-17-9-7-16(2)8-10-17/h4-10,12,19,26H,3,11,13-15H2,1-2H3,(H,23,27)(H2,24,25,28)/t19-/m0/s1
InChIKeyLLCBRWPGJXUOAO-IBGZPJMESA-N
MW383.49 g/mol
LogP2.40
Rot. Bonds9

About N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide

N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide (PubChem CID 124847725) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
PubChem CID124847725
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)NC[C@@H](CO)Cc2ccc(C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-23-21(27)20-6-4-5-18(12-20)13-24-22(28)25-14-19(15-26)11-17-9-7-16(2)8-10-17/h4-10,12,19,26H,3,11,13-15H2,1-2H3,(H,23,27)(H2,24,25,28)/t19-/m0/s1
InChIKeyLLCBRWPGJXUOAO-IBGZPJMESA-N
XLogP2.40
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide 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

3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497
3-[[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111288880
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
1-[(3-carbamothioylphenyl)methyl]-3-ethylurea
CID 62311819
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-ethylbenzamide
CID 110953022
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide (CID 124847725) is N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide is CCNC(=O)c1cccc(CNC(=O)NC[C@@H](CO)Cc2ccc(C)cc2)c1.
What is the InChIKey of N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide?
The InChIKey is LLCBRWPGJXUOAO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-23-21(27)20-6-4-5-18(12-20)13-24-22(28)25-14-19(15-26)11-17-9-7-16(2)8-10-17/h4-10,12,19,26H,3,11,13-15H2,1-2H3,(H,23,27)(H2,24,25,28)/t19-/m0/s1.
What are the key properties of N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide?
N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide is sourced from PubChem (CID 124847725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).