N-hept-1-en-4-yl-2-phenylacetamide

C15H21NO — CID 10331469

IUPACN-hept-1-en-4-yl-2-phenylacetamide
SMILESC=CCC(CCC)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-8-14(9-4-2)16-15(17)12-13-10-6-5-7-11-13/h3,5-7,10-11,14H,1,4,8-9,12H2,2H3,(H,16,17)
InChIKeyQBYILSMTJBSEGF-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.09
Rot. Bonds7

About N-hept-1-en-4-yl-2-phenylacetamide

N-hept-1-en-4-yl-2-phenylacetamide (PubChem CID 10331469) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-hept-1-en-4-yl-2-phenylacetamide.

Molecular Properties

Compound NameN-hept-1-en-4-yl-2-phenylacetamide
PubChem CID10331469
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-hept-1-en-4-yl-2-phenylacetamide
SMILESC=CCC(CCC)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-3-8-14(9-4-2)16-15(17)12-13-10-6-5-7-11-13/h3,5-7,10-11,14H,1,4,8-9,12H2,2H3,(H,16,17)
InChIKeyQBYILSMTJBSEGF-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-[(2R)-1-(dibenzylamino)pent-4-en-2-yl]propanamide
CID 15316897
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407
benzyl N-undec-1-en-4-ylcarbamate
CID 10924709
methyl (2S)-2-[(1S)-1-[(2-phenylacetyl)amino]ethyl]pent-4-enoate
CID 10660019
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
N-[(E,2S)-1-hydroxyoctadec-4-en-2-yl]-2-phenylacetamide
CID 54753593
[4-methyl-2-[(2-phenylacetyl)amino]pentyl]phosphonic acid
CID 3905845
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434

Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-4-yl-2-phenylacetamide?
The IUPAC name of N-hept-1-en-4-yl-2-phenylacetamide (CID 10331469) is N-hept-1-en-4-yl-2-phenylacetamide.
What is the SMILES notation for N-hept-1-en-4-yl-2-phenylacetamide?
The canonical SMILES for N-hept-1-en-4-yl-2-phenylacetamide is C=CCC(CCC)NC(=O)Cc1ccccc1.
What is the InChIKey of N-hept-1-en-4-yl-2-phenylacetamide?
The InChIKey is QBYILSMTJBSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-8-14(9-4-2)16-15(17)12-13-10-6-5-7-11-13/h3,5-7,10-11,14H,1,4,8-9,12H2,2H3,(H,16,17).
What are the key properties of N-hept-1-en-4-yl-2-phenylacetamide?
N-hept-1-en-4-yl-2-phenylacetamide has a molecular weight of 231.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-4-yl-2-phenylacetamide is sourced from PubChem (CID 10331469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).