3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide

C18H21N3O2 — CID 24605702

IUPAC3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-13-8-10-15(11-9-13)20-17(22)12-16(21-18(19)23)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,20,22)(H3,19,21,23)
InChIKeyDWRSMGHKFLYPNI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.99
Rot. Bonds6

About 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide

3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide (PubChem CID 24605702) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
PubChem CID24605702
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-13-8-10-15(11-9-13)20-17(22)12-16(21-18(19)23)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,20,22)(H3,19,21,23)
InChIKeyDWRSMGHKFLYPNI-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 94017927
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 9259796
(3S)-3-(carbamoylamino)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 51929775
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide (CID 24605702) is 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide is CCc1ccc(NC(=O)CC(NC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide?
The InChIKey is DWRSMGHKFLYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-13-8-10-15(11-9-13)20-17(22)12-16(21-18(19)23)14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,20,22)(H3,19,21,23).
What are the key properties of 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide?
3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 24605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).