3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide

C27H31N3O2 — CID 42702046

IUPAC3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
SMILESCC(C)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C27H31N3O2/c1-20(2)23-13-15-24(16-14-23)29-27(32)30-25(19-22-11-7-4-8-12-22)26(31)28-18-17-21-9-5-3-6-10-21/h3-16,20,25H,17-19H2,1-2H3,(H,28,31)(H2,29,30,32)
InChIKeyRERXBJRKRUBAIV-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.90
Rot. Bonds9

About 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide

3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide (PubChem CID 42702046) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
PubChem CID42702046
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
SMILESCC(C)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C27H31N3O2/c1-20(2)23-13-15-24(16-14-23)29-27(32)30-25(19-22-11-7-4-8-12-22)26(31)28-18-17-21-9-5-3-6-10-21/h3-16,20,25H,17-19H2,1-2H3,(H,28,31)(H2,29,30,32)
InChIKeyRERXBJRKRUBAIV-UHFFFAOYSA-N
XLogP4.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42702037
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-phenylpropanamide
CID 87927842
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 58843181
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 42696561
N-(6-aminohexyl)-3-phenyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 69109708
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide (CID 42702046) is 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide is CC(C)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide?
The InChIKey is RERXBJRKRUBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20(2)23-13-15-24(16-14-23)29-27(32)30-25(19-22-11-7-4-8-12-22)26(31)28-18-17-21-9-5-3-6-10-21/h3-16,20,25H,17-19H2,1-2H3,(H,28,31)(H2,29,30,32).
What are the key properties of 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide?
3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide has a molecular weight of 429.56 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 42702046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).