(Z)-2-propan-2-yl-3-propylpentadec-2-enamide

C21H41NO — CID 140577611

IUPAC(Z)-2-propan-2-yl-3-propylpentadec-2-enamide
SMILESCCCCCCCCCCCC/C(CCC)=C(\C(N)=O)C(C)C
InChIInChI=1S/C21H41NO/c1-5-7-8-9-10-11-12-13-14-15-17-19(16-6-2)20(18(3)4)21(22)23/h18H,5-17H2,1-4H3,(H2,22,23)/b20-19-
InChIKeyDBALXXZLZOIIRH-VXPUYCOJSA-N
MW323.57 g/mol
LogP6.54
Rot. Bonds15

About (Z)-2-propan-2-yl-3-propylpentadec-2-enamide

(Z)-2-propan-2-yl-3-propylpentadec-2-enamide (PubChem CID 140577611) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is (Z)-2-propan-2-yl-3-propylpentadec-2-enamide.

Molecular Properties

Compound Name(Z)-2-propan-2-yl-3-propylpentadec-2-enamide
PubChem CID140577611
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name(Z)-2-propan-2-yl-3-propylpentadec-2-enamide
SMILESCCCCCCCCCCCC/C(CCC)=C(\C(N)=O)C(C)C
InChIInChI=1S/C21H41NO/c1-5-7-8-9-10-11-12-13-14-15-17-19(16-6-2)20(18(3)4)21(22)23/h18H,5-17H2,1-4H3,(H2,22,23)/b20-19-
InChIKeyDBALXXZLZOIIRH-VXPUYCOJSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hexyl-2-propylnon-2-enamide
CID 174472845
octadecanamide;bis(propan-2-ol)
CID 90014672
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2-methylhexadecan-3-one
CID 58030381
acetamide;decanamide;dihydrochloride
CID 141131942
butane;octanamide
CID 87511414
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
9,10-dioctyloctadec-9-ene
CID 10814462
(2S)-1,2-diaminotetradecan-3-one
CID 94859791

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propan-2-yl-3-propylpentadec-2-enamide?
The IUPAC name of (Z)-2-propan-2-yl-3-propylpentadec-2-enamide (CID 140577611) is (Z)-2-propan-2-yl-3-propylpentadec-2-enamide.
What is the SMILES notation for (Z)-2-propan-2-yl-3-propylpentadec-2-enamide?
The canonical SMILES for (Z)-2-propan-2-yl-3-propylpentadec-2-enamide is CCCCCCCCCCCC/C(CCC)=C(\C(N)=O)C(C)C.
What is the InChIKey of (Z)-2-propan-2-yl-3-propylpentadec-2-enamide?
The InChIKey is DBALXXZLZOIIRH-VXPUYCOJSA-N. The full InChI is InChI=1S/C21H41NO/c1-5-7-8-9-10-11-12-13-14-15-17-19(16-6-2)20(18(3)4)21(22)23/h18H,5-17H2,1-4H3,(H2,22,23)/b20-19-.
What are the key properties of (Z)-2-propan-2-yl-3-propylpentadec-2-enamide?
(Z)-2-propan-2-yl-3-propylpentadec-2-enamide has a molecular weight of 323.57 g/mol, XLogP of 6.54, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propan-2-yl-3-propylpentadec-2-enamide is sourced from PubChem (CID 140577611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).