(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide

C15H23N3O2 — CID 104898372

IUPAC(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCC(C)CNC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-17-13(19)10-18(3)15(20)14(16)12-7-5-4-6-8-12/h4-8,11,14H,9-10,16H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeySDEGXIIEVWBBKY-AWEZNQCLSA-N
MW277.37 g/mol
LogP0.92
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide

(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 104898372) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
PubChem CID104898372
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
SMILESCC(C)CNC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-17-13(19)10-18(3)15(20)14(16)12-7-5-4-6-8-12/h4-8,11,14H,9-10,16H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeySDEGXIIEVWBBKY-AWEZNQCLSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
benzyl (3S)-3-amino-4-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 114274937
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151379
(2R)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 107570541
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
CID 104898271
3-amino-N,2-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-3-sulfanylidenepropanamide
CID 113409349
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119527431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide (CID 104898372) is (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide is CC(C)CNC(=O)CN(C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is SDEGXIIEVWBBKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-17-13(19)10-18(3)15(20)14(16)12-7-5-4-6-8-12/h4-8,11,14H,9-10,16H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide?
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 277.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 104898372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).