2-amino-N-but-2-ynyl-4-phenylbutanamide

C14H18N2O — CID 114929350

IUPAC2-amino-N-but-2-ynyl-4-phenylbutanamide
SMILESCC#CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-3-11-16-14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1H3,(H,16,17)
InChIKeyBMMVXPUWMUVBIW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.09
Rot. Bonds5

About 2-amino-N-but-2-ynyl-4-phenylbutanamide

2-amino-N-but-2-ynyl-4-phenylbutanamide (PubChem CID 114929350) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-but-2-ynyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-but-2-ynyl-4-phenylbutanamide
PubChem CID114929350
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-amino-N-but-2-ynyl-4-phenylbutanamide
SMILESCC#CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-3-11-16-14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1H3,(H,16,17)
InChIKeyBMMVXPUWMUVBIW-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.09
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

(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
CID 104861124
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2S)-2-(but-2-ynylcarbamoylamino)-4-phenylbutanoic acid
CID 104983645
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-2-ynyl-4-phenylbutanamide?
The IUPAC name of 2-amino-N-but-2-ynyl-4-phenylbutanamide (CID 114929350) is 2-amino-N-but-2-ynyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-but-2-ynyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-but-2-ynyl-4-phenylbutanamide is CC#CCNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-but-2-ynyl-4-phenylbutanamide?
The InChIKey is BMMVXPUWMUVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-11-16-14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-but-2-ynyl-4-phenylbutanamide?
2-amino-N-but-2-ynyl-4-phenylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-2-ynyl-4-phenylbutanamide is sourced from PubChem (CID 114929350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).