N-octan-4-yl-N-propylpropanamide

C14H29NO — CID 142120494

IUPACN-octan-4-yl-N-propylpropanamide
SMILESCCCCC(CCC)N(CCC)C(=O)CC
InChIInChI=1S/C14H29NO/c1-5-9-11-13(10-6-2)15(12-7-3)14(16)8-4/h13H,5-12H2,1-4H3
InChIKeyBJRTUTUPUHKLKU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.99
Rot. Bonds9

About N-octan-4-yl-N-propylpropanamide

N-octan-4-yl-N-propylpropanamide (PubChem CID 142120494) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-octan-4-yl-N-propylpropanamide.

Molecular Properties

Compound NameN-octan-4-yl-N-propylpropanamide
PubChem CID142120494
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-octan-4-yl-N-propylpropanamide
SMILESCCCCC(CCC)N(CCC)C(=O)CC
InChIInChI=1S/C14H29NO/c1-5-9-11-13(10-6-2)15(12-7-3)14(16)8-4/h13H,5-12H2,1-4H3
InChIKeyBJRTUTUPUHKLKU-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
CID 18735616
2-[heptan-3-yl(propyl)amino]acetic acid
CID 65064698
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
methyl 3-[tetracosan-11-yl(tetradecanoyl)amino]propanoate
CID 123456537
N-nonan-5-yl-2-propyl-N-prop-2-ynylpentanamide
CID 123960626
2-[carboxymethyl(heptan-3-yl)amino]acetic acid
CID 65065837
1-[methyl(octan-4-yl)amino]butan-1-ol
CID 88539765
2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
CID 119316989
N,N-dihydroxynonan-4-amine
CID 139703467
N-butyl-N-undecan-5-ylnonanamide;hexane;2-hexyldecyl formate
CID 157043286
[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
CID 175579288
3-(dimethylamino)heptanoic acid
CID 64527773

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-N-propylpropanamide?
The IUPAC name of N-octan-4-yl-N-propylpropanamide (CID 142120494) is N-octan-4-yl-N-propylpropanamide.
What is the SMILES notation for N-octan-4-yl-N-propylpropanamide?
The canonical SMILES for N-octan-4-yl-N-propylpropanamide is CCCCC(CCC)N(CCC)C(=O)CC.
What is the InChIKey of N-octan-4-yl-N-propylpropanamide?
The InChIKey is BJRTUTUPUHKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-11-13(10-6-2)15(12-7-3)14(16)8-4/h13H,5-12H2,1-4H3.
What are the key properties of N-octan-4-yl-N-propylpropanamide?
N-octan-4-yl-N-propylpropanamide has a molecular weight of 227.39 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-N-propylpropanamide is sourced from PubChem (CID 142120494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).