(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide

C12H14N2O — CID 104898271

IUPAC(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9-14(2)12(15)11(13)10-7-5-4-6-8-10/h1,4-8,11H,9,13H2,2H3/t11-/m0/s1
InChIKeyWQLHVVMSXKKRKN-NSHDSACASA-N
MW202.26 g/mol
LogP0.78
Rot. Bonds3

About (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide

(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide (PubChem CID 104898271) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
PubChem CID104898271
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-9-14(2)12(15)11(13)10-7-5-4-6-8-10/h1,4-8,11H,9,13H2,2H3/t11-/m0/s1
InChIKeyWQLHVVMSXKKRKN-NSHDSACASA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-phenylacetyl)-prop-2-ynylamino]acetic acid
CID 79273974
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
(Z)-3-ethoxy-5-[methyl(prop-2-ynyl)amino]-5-phenylpent-2-enoic acid
CID 88560529
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
(2S)-2-amino-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-phenylacetamide
CID 104898372
2-amino-N-methyl-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 119345164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide?
The IUPAC name of (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide (CID 104898271) is (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide?
The canonical SMILES for (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide is C#CCN(C)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide?
The InChIKey is WQLHVVMSXKKRKN-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-14(2)12(15)11(13)10-7-5-4-6-8-10/h1,4-8,11H,9,13H2,2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide?
(2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide has a molecular weight of 202.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-2-phenyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 104898271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).