2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide

C22H21N3O3 — CID 18160503

IUPAC2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c23-22(27)25-20(15-16-7-3-1-4-8-16)21(26)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,24,26)(H3,23,25,27)
InChIKeyGKMFPODGRUNDKQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.70
Rot. Bonds7

About 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide

2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide (PubChem CID 18160503) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
PubChem CID18160503
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c23-22(27)25-20(15-16-7-3-1-4-8-16)21(26)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,24,26)(H3,23,25,27)
InChIKeyGKMFPODGRUNDKQ-UHFFFAOYSA-N
XLogP3.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
CID 126004333
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide (CID 18160503) is 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide?
The InChIKey is GKMFPODGRUNDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c23-22(27)25-20(15-16-7-3-1-4-8-16)21(26)24-17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,24,26)(H3,23,25,27).
What are the key properties of 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide?
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide has a molecular weight of 375.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 18160503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).