3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide

C22H21N3O2 — CID 17233492

IUPAC3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c26-21(16-11-17-7-3-1-4-8-17)23-19-12-14-20(15-13-19)25-22(27)24-18-9-5-2-6-10-18/h1-10,12-15H,11,16H2,(H,23,26)(H2,24,25,27)
InChIKeyONJNRPVKVLVVOB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds6

About 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide

3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide (PubChem CID 17233492) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
PubChem CID17233492
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c26-21(16-11-17-7-3-1-4-8-17)23-19-12-14-20(15-13-19)25-22(27)24-18-9-5-2-6-10-18/h1-10,12-15H,11,16H2,(H,23,26)(H2,24,25,27)
InChIKeyONJNRPVKVLVVOB-UHFFFAOYSA-N
XLogP4.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-hydroxyphenyl)-3-phenylpropanamide
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N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide (CID 17233492) is 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
The InChIKey is ONJNRPVKVLVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(16-11-17-7-3-1-4-8-17)23-19-12-14-20(15-13-19)25-22(27)24-18-9-5-2-6-10-18/h1-10,12-15H,11,16H2,(H,23,26)(H2,24,25,27).
What are the key properties of 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide?
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 17233492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).