N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide

C22H45NO — CID 18735616

IUPACN-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)C(CCC)CCC
InChIInChI=1S/C22H45NO/c1-8-12-16-20(17-13-9-2)23(19(14-10-3)15-11-4)21(24)18-22(5,6)7/h19-20H,8-18H2,1-7H3
InChIKeyRTKFPEVGOADVHM-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.97
Rot. Bonds13

About N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide

N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide (PubChem CID 18735616) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
PubChem CID18735616
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CC(C)(C)C)C(CCC)CCC
InChIInChI=1S/C22H45NO/c1-8-12-16-20(17-13-9-2)23(19(14-10-3)15-11-4)21(24)18-22(5,6)7/h19-20H,8-18H2,1-7H3
InChIKeyRTKFPEVGOADVHM-UHFFFAOYSA-N
XLogP6.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-octan-4-yl-N-propylpropanamide
CID 142120494
1-[methyl(octan-4-yl)amino]butan-1-ol
CID 88539765
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-butyl-4-[3,3-dimethylbutanoyl(3-methylbutyl)amino]-2,2,4-trimethylpentanamide
CID 121263966
N-(5-butylpyrimidin-4-yl)-N-heptan-4-yl-3,3-dimethylbutanamide
CID 18736011
λ2-stannane;2-propylhexanoic acid
CID 174232814
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate
CID 89278791
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
N-heptan-4-yl-N-pentan-2-ylbutanamide
CID 89281529
3-(dimethylamino)heptanoic acid
CID 64527773
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide?
The IUPAC name of N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide (CID 18735616) is N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide?
The canonical SMILES for N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(C(=O)CC(C)(C)C)C(CCC)CCC.
What is the InChIKey of N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide?
The InChIKey is RTKFPEVGOADVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-8-12-16-20(17-13-9-2)23(19(14-10-3)15-11-4)21(24)18-22(5,6)7/h19-20H,8-18H2,1-7H3.
What are the key properties of N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide?
N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide has a molecular weight of 339.61 g/mol, XLogP of 6.97, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-3,3-dimethyl-N-nonan-5-ylbutanamide is sourced from PubChem (CID 18735616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).