2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide

C21H26N2O — CID 112806598

IUPAC2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNC(c1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16(2)23(19-11-7-4-8-12-19)20(24)15-22-21(18-13-14-18)17-9-5-3-6-10-17/h3-12,16,18,21-22H,13-15H2,1-2H3
InChIKeyAYOHSJLOVMQAKE-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.17
Rot. Bonds7

About 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide

2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 112806598) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
PubChem CID112806598
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CNC(c1ccccc1)C1CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-16(2)23(19-11-7-4-8-12-19)20(24)15-22-21(18-13-14-18)17-9-5-3-6-10-17/h3-12,16,18,21-22H,13-15H2,1-2H3
InChIKeyAYOHSJLOVMQAKE-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750
2-[[cyclopropyl(phenyl)methyl]amino]-N-ethyl-N-methylacetamide
CID 113304647
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide (CID 112806598) is 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CNC(c1ccccc1)C1CC1)c1ccccc1.
What is the InChIKey of 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is AYOHSJLOVMQAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)23(19-11-7-4-8-12-19)20(24)15-22-21(18-13-14-18)17-9-5-3-6-10-17/h3-12,16,18,21-22H,13-15H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide?
2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 322.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 112806598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).