2-(pent-4-ynylamino)-N-phenylpropanamide

C14H18N2O — CID 103711267

IUPAC2-(pent-4-ynylamino)-N-phenylpropanamide
SMILESC#CCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,5-7,9-10,12,15H,4,8,11H2,2H3,(H,16,17)
InChIKeyVSJPCFIICLMWQC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.02
Rot. Bonds6

About 2-(pent-4-ynylamino)-N-phenylpropanamide

2-(pent-4-ynylamino)-N-phenylpropanamide (PubChem CID 103711267) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(pent-4-ynylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(pent-4-ynylamino)-N-phenylpropanamide
PubChem CID103711267
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(pent-4-ynylamino)-N-phenylpropanamide
SMILESC#CCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,5-7,9-10,12,15H,4,8,11H2,2H3,(H,16,17)
InChIKeyVSJPCFIICLMWQC-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octylamino)-N-phenylpropanamide
CID 78914372
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
N-phenyl-2-(5,5,5-trifluoropentylamino)propanamide
CID 115496240
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-phenylpropanamide
CID 106237657
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689

Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-ynylamino)-N-phenylpropanamide?
The IUPAC name of 2-(pent-4-ynylamino)-N-phenylpropanamide (CID 103711267) is 2-(pent-4-ynylamino)-N-phenylpropanamide.
What is the SMILES notation for 2-(pent-4-ynylamino)-N-phenylpropanamide?
The canonical SMILES for 2-(pent-4-ynylamino)-N-phenylpropanamide is C#CCCCNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(pent-4-ynylamino)-N-phenylpropanamide?
The InChIKey is VSJPCFIICLMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-8-11-15-12(2)14(17)16-13-9-6-5-7-10-13/h1,5-7,9-10,12,15H,4,8,11H2,2H3,(H,16,17).
What are the key properties of 2-(pent-4-ynylamino)-N-phenylpropanamide?
2-(pent-4-ynylamino)-N-phenylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-ynylamino)-N-phenylpropanamide is sourced from PubChem (CID 103711267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).