(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide

C22H28N2O — CID 8646021

IUPAC(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
SMILESCC(C)C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-16(2)15-20(17-9-5-3-6-10-17)24-21(18-11-7-4-8-12-18)22(25)23-19-13-14-19/h3-12,16,19-21,24H,13-15H2,1-2H3,(H,23,25)/t20-,21+/m0/s1
InChIKeyGLGUFJHQMFYVLO-LEWJYISDSA-N
MW336.48 g/mol
LogP4.38
Rot. Bonds8

About (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide

(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide (PubChem CID 8646021) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
PubChem CID8646021
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
SMILESCC(C)C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-16(2)15-20(17-9-5-3-6-10-17)24-21(18-11-7-4-8-12-18)22(25)23-19-13-14-19/h3-12,16,19-21,24H,13-15H2,1-2H3,(H,23,25)/t20-,21+/m0/s1
InChIKeyGLGUFJHQMFYVLO-LEWJYISDSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65054767
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CID 9043598
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
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CID 7614348
(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
CID 167001986
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
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CID 43085781
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98759043
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide (CID 8646021) is (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide is CC(C)C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide?
The InChIKey is GLGUFJHQMFYVLO-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(2)15-20(17-9-5-3-6-10-17)24-21(18-11-7-4-8-12-18)22(25)23-19-13-14-19/h3-12,16,19-21,24H,13-15H2,1-2H3,(H,23,25)/t20-,21+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide?
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide has a molecular weight of 336.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8646021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).