(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide

C21H25N3O2 — CID 9053195

IUPAC(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)23-21(26)20(16-6-4-3-5-7-16)24(2)14-19(25)22-17-12-13-17/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyPHXIALQCHKZWMC-HXUWFJFHSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds7

About (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide

(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 9053195) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID9053195
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)NC2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)23-21(26)20(16-6-4-3-5-7-16)24(2)14-19(25)22-17-12-13-17/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyPHXIALQCHKZWMC-HXUWFJFHSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815
N-cyclopropyl-2-[methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]acetamide
CID 8910706
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide (CID 9053195) is (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is PHXIALQCHKZWMC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)23-21(26)20(16-6-4-3-5-7-16)24(2)14-19(25)22-17-12-13-17/h3-11,17,20H,12-14H2,1-2H3,(H,22,25)(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide?
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 9053195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).