N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide

C19H31NO2 — CID 71106716

IUPACN-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cccc(OC)c1)C(CCC)CCC
InChIInChI=1S/C19H31NO2/c1-5-9-17(10-6-2)20(19(21)11-7-3)15-16-12-8-13-18(14-16)22-4/h8,12-14,17H,5-7,9-11,15H2,1-4H3
InChIKeyQXTGWFNAWRFSKE-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.79
Rot. Bonds10

About N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide

N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 71106716) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID71106716
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1cccc(OC)c1)C(CCC)CCC
InChIInChI=1S/C19H31NO2/c1-5-9-17(10-6-2)20(19(21)11-7-3)15-16-12-8-13-18(14-16)22-4/h8,12-14,17H,5-7,9-11,15H2,1-4H3
InChIKeyQXTGWFNAWRFSKE-UHFFFAOYSA-N
XLogP4.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037
N-[(3-methoxyphenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132762097
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 132761774
[3-[[butanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 42775474
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
[3-[[butanoyl(butan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 42775495
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
CID 132669603
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 63073004
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132699965

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide (CID 71106716) is N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide is CCCC(=O)N(Cc1cccc(OC)c1)C(CCC)CCC.
What is the InChIKey of N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is QXTGWFNAWRFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-9-17(10-6-2)20(19(21)11-7-3)15-16-12-8-13-18(14-16)22-4/h8,12-14,17H,5-7,9-11,15H2,1-4H3.
What are the key properties of N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide?
N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 305.46 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 71106716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).