2-amino-4-phenyl-N-prop-2-ynylbutanamide

C13H16N2O — CID 114925050

IUPAC2-amino-4-phenyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h1,3-7,12H,8-10,14H2,(H,15,16)
InChIKeyWRYAOJMWYNQEQI-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.70
Rot. Bonds5

About 2-amino-4-phenyl-N-prop-2-ynylbutanamide

2-amino-4-phenyl-N-prop-2-ynylbutanamide (PubChem CID 114925050) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-prop-2-ynylbutanamide
PubChem CID114925050
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-4-phenyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h1,3-7,12H,8-10,14H2,(H,15,16)
InChIKeyWRYAOJMWYNQEQI-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
CID 104984800
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-prop-2-ynylbutanamide?
The IUPAC name of 2-amino-4-phenyl-N-prop-2-ynylbutanamide (CID 114925050) is 2-amino-4-phenyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for 2-amino-4-phenyl-N-prop-2-ynylbutanamide?
The canonical SMILES for 2-amino-4-phenyl-N-prop-2-ynylbutanamide is C#CCNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-N-prop-2-ynylbutanamide?
The InChIKey is WRYAOJMWYNQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-15-13(16)12(14)9-8-11-6-4-3-5-7-11/h1,3-7,12H,8-10,14H2,(H,15,16).
What are the key properties of 2-amino-4-phenyl-N-prop-2-ynylbutanamide?
2-amino-4-phenyl-N-prop-2-ynylbutanamide has a molecular weight of 216.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 114925050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).