N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide

C20H37NO — CID 123960626

IUPACN-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide
SMILESC#CCN(C(=O)C(CCC)CCC)C(CCCC)CCCC
InChIInChI=1S/C20H37NO/c1-6-11-15-19(16-12-7-2)21(17-10-5)20(22)18(13-8-3)14-9-4/h5,18-19H,6-9,11-17H2,1-4H3
InChIKeyRWSGTBHXEZAQJZ-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.41
Rot. Bonds13

About N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide

N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide (PubChem CID 123960626) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide.

Molecular Properties

Compound NameN-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide
PubChem CID123960626
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide
SMILESC#CCN(C(=O)C(CCC)CCC)C(CCCC)CCCC
InChIInChI=1S/C20H37NO/c1-6-11-15-19(16-12-7-2)21(17-10-5)20(22)18(13-8-3)14-9-4/h5,18-19H,6-9,11-17H2,1-4H3
InChIKeyRWSGTBHXEZAQJZ-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)pentanoyl-prop-2-ynylamino]acetic acid
CID 79274102
N-(cyanomethyl)-N-methyl-2-propylpentanamide
CID 115532829
4-(aminomethyl)hept-1-yn-3-one
CID 116574541
N-octan-4-yl-N-propylpropanamide
CID 142120494
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-propylhexanamide
CID 19818979
phosphane;2-propylhexanoic acid
CID 87429538
3-[ethyl(2-propylpentanoyl)amino]butanoic acid
CID 82984536
N,N-bis(hydroxymethyl)-2-propyloctadecanamide
CID 139887023
2-butyl-N,N-dicarbamoylhexanamide
CID 24839231
N-(2-bromoethyl)-N-butyl-2-propylpentanamide
CID 82987659
(4R)-4-propyloctane-2,3-dione
CID 91312315

Frequently Asked Questions

What is the IUPAC name of N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide?
The IUPAC name of N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide (CID 123960626) is N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide.
What is the SMILES notation for N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide?
The canonical SMILES for N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide is C#CCN(C(=O)C(CCC)CCC)C(CCCC)CCCC.
What is the InChIKey of N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide?
The InChIKey is RWSGTBHXEZAQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-6-11-15-19(16-12-7-2)21(17-10-5)20(22)18(13-8-3)14-9-4/h5,18-19H,6-9,11-17H2,1-4H3.
What are the key properties of N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide?
N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide has a molecular weight of 307.52 g/mol, XLogP of 5.41, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide is sourced from PubChem (CID 123960626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).