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

C22H22N4O2 — CID 134008809

IUPACN-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c23-22(28)26-20(15-16-7-3-1-4-8-16)21(27)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20,24H,15H2,(H,25,27)(H3,23,26,28)
InChIKeyPOVYSOFLZFRCIH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.65
Rot. Bonds7

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

N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide (PubChem CID 134008809) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
PubChem CID134008809
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c23-22(28)26-20(15-16-7-3-1-4-8-16)21(27)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20,24H,15H2,(H,25,27)(H3,23,26,28)
InChIKeyPOVYSOFLZFRCIH-UHFFFAOYSA-N
XLogP3.65
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
2-(carbamoylamino)-3-phenyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 24636880

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The IUPAC name of N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide (CID 134008809) is N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The InChIKey is POVYSOFLZFRCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-22(28)26-20(15-16-7-3-1-4-8-16)21(27)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20,24H,15H2,(H,25,27)(H3,23,26,28).
What are the key properties of N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide?
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 134008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).