N-pent-4-yn-2-yl-4-phenylbutanamide

C15H19NO — CID 115661905

IUPACN-pent-4-yn-2-yl-4-phenylbutanamide
SMILESC#CCC(C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H19NO/c1-3-8-13(2)16-15(17)12-7-11-14-9-5-4-6-10-14/h1,4-6,9-10,13H,7-8,11-12H2,2H3,(H,16,17)
InChIKeySBZAHGUJHPCUBY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.54
Rot. Bonds6

About N-pent-4-yn-2-yl-4-phenylbutanamide

N-pent-4-yn-2-yl-4-phenylbutanamide (PubChem CID 115661905) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-4-phenylbutanamide.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-4-phenylbutanamide
PubChem CID115661905
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-pent-4-yn-2-yl-4-phenylbutanamide
SMILESC#CCC(C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C15H19NO/c1-3-8-13(2)16-15(17)12-7-11-14-9-5-4-6-10-14/h1,4-6,9-10,13H,7-8,11-12H2,2H3,(H,16,17)
InChIKeySBZAHGUJHPCUBY-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-phenyl-N-prop-2-ynylbutanamide
CID 60769101
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide
CID 63930626
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-4-phenylbutanamide?
The IUPAC name of N-pent-4-yn-2-yl-4-phenylbutanamide (CID 115661905) is N-pent-4-yn-2-yl-4-phenylbutanamide.
What is the SMILES notation for N-pent-4-yn-2-yl-4-phenylbutanamide?
The canonical SMILES for N-pent-4-yn-2-yl-4-phenylbutanamide is C#CCC(C)NC(=O)CCCc1ccccc1.
What is the InChIKey of N-pent-4-yn-2-yl-4-phenylbutanamide?
The InChIKey is SBZAHGUJHPCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-8-13(2)16-15(17)12-7-11-14-9-5-4-6-10-14/h1,4-6,9-10,13H,7-8,11-12H2,2H3,(H,16,17).
What are the key properties of N-pent-4-yn-2-yl-4-phenylbutanamide?
N-pent-4-yn-2-yl-4-phenylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-4-phenylbutanamide is sourced from PubChem (CID 115661905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).