N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide

C19H31NO2 — CID 71107037

IUPACN-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCCCCC(C)N(Cc1cccc(OC)c1)C(=O)CCC
InChIInChI=1S/C19H31NO2/c1-5-7-8-11-16(3)20(19(21)10-6-2)15-17-12-9-13-18(14-17)22-4/h9,12-14,16H,5-8,10-11,15H2,1-4H3
InChIKeyREQKRCZAPFPVFD-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.79
Rot. Bonds10

About N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide

N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 71107037) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID71107037
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCCCCCC(C)N(Cc1cccc(OC)c1)C(=O)CCC
InChIInChI=1S/C19H31NO2/c1-5-7-8-11-16(3)20(19(21)10-6-2)15-17-12-9-13-18(14-17)22-4/h9,12-14,16H,5-8,10-11,15H2,1-4H3
InChIKeyREQKRCZAPFPVFD-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

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71106716
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 132761774
N-[(3-methoxyphenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132762097
[3-[[butanoyl(butan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 42775495
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
[3-[[butanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 42775474
[3-[[[(2S)-butan-2-yl]-dodecanoylamino]methyl]phenyl] ethanesulfonate
CID 98397331
[3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] methanesulfonate
CID 3453329
[3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] ethanesulfonate
CID 3361410
N-butyl-2-[(3-methoxyphenyl)methyl-propanoylamino]butanamide
CID 132699965
[3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 4197524
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide (CID 71107037) is N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide is CCCCCC(C)N(Cc1cccc(OC)c1)C(=O)CCC.
What is the InChIKey of N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is REQKRCZAPFPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-7-8-11-16(3)20(19(21)10-6-2)15-17-12-9-13-18(14-17)22-4/h9,12-14,16H,5-8,10-11,15H2,1-4H3.
What are the key properties of N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide?
N-heptan-2-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-2-yl-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 71107037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).