N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide

C15H20N2O — CID 79269795

IUPACN-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3,(H,17,18)
InChIKeyTVXWENIKZFQQAQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.52
Rot. Bonds7

About N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide

N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79269795) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79269795
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3,(H,17,18)
InChIKeyTVXWENIKZFQQAQ-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.52
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-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
N-benzhydryl-2-(prop-2-ynylamino)acetamide
CID 78908468
5-methyl-4-[2-[[2-(prop-2-ynylamino)acetyl]amino]ethyl]hexanoic acid
CID 79272358
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
N-(3-phenylbutyl)benzamide
CID 62403316
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide (CID 79269795) is N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is TVXWENIKZFQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h1,4-8,13,16H,9-12H2,2H3,(H,17,18).
What are the key properties of N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide?
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 244.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79269795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).