(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide

C23H28N2O3 — CID 30664714

IUPAC(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESCC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(2)21(25-20(26)15-28-19-11-7-4-8-12-19)22(27)24-16-23(13-14-23)18-9-5-3-6-10-18/h3-12,17,21H,13-16H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKeyHHBOEZMQHCXPGH-OAQYLSRUSA-N
MW380.49 g/mol
LogP3.05
Rot. Bonds9

About (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide

(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide (PubChem CID 30664714) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
PubChem CID30664714
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESCC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-17(2)21(25-20(26)15-28-19-11-7-4-8-12-19)22(27)24-16-23(13-14-23)18-9-5-3-6-10-18/h3-12,17,21H,13-16H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKeyHHBOEZMQHCXPGH-OAQYLSRUSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
3,5-dimethoxy-N-[3-methyl-1-oxo-1-[(1-phenylcyclobutyl)methylamino]butan-2-yl]benzamide
CID 17492145
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 9042312
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55621096
(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 95329415
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-pyrrol-1-ylphenyl)butanamide
CID 167966694

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide (CID 30664714) is (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide is CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide?
The InChIKey is HHBOEZMQHCXPGH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(2)21(25-20(26)15-28-19-11-7-4-8-12-19)22(27)24-16-23(13-14-23)18-9-5-3-6-10-18/h3-12,17,21H,13-16H2,1-2H3,(H,24,27)(H,25,26)/t21-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide?
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide has a molecular weight of 380.49 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 30664714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).