N-heptan-2-yl-5-methyl-2-(methylamino)benzamide

C16H26N2O — CID 62509942

IUPACN-heptan-2-yl-5-methyl-2-(methylamino)benzamide
SMILESCCCCCC(C)NC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C16H26N2O/c1-5-6-7-8-13(3)18-16(19)14-11-12(2)9-10-15(14)17-4/h9-11,13,17H,5-8H2,1-4H3,(H,18,19)
InChIKeyNAEOGEBAYGBOBG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.74
Rot. Bonds7

About N-heptan-2-yl-5-methyl-2-(methylamino)benzamide

N-heptan-2-yl-5-methyl-2-(methylamino)benzamide (PubChem CID 62509942) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-heptan-2-yl-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-heptan-2-yl-5-methyl-2-(methylamino)benzamide
PubChem CID62509942
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-heptan-2-yl-5-methyl-2-(methylamino)benzamide
SMILESCCCCCC(C)NC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C16H26N2O/c1-5-6-7-8-13(3)18-16(19)14-11-12(2)9-10-15(14)17-4/h9-11,13,17H,5-8H2,1-4H3,(H,18,19)
InChIKeyNAEOGEBAYGBOBG-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
methyl 2-(heptan-2-ylamino)-5-methylbenzoate
CID 43679128
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
CID 62247800
N-heptan-2-yl-3-(methylamino)-2-nitrobenzamide
CID 115548892
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-(1-ethoxypropan-2-yl)-5-methyl-2-(propylamino)benzamide
CID 62510998
5-methyl-N-(1-methylsulfonylpropan-2-yl)-2-(propylamino)benzamide
CID 64642886
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
N-(dicyclopropylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62509943

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-heptan-2-yl-5-methyl-2-(methylamino)benzamide (CID 62509942) is N-heptan-2-yl-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-heptan-2-yl-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-heptan-2-yl-5-methyl-2-(methylamino)benzamide is CCCCCC(C)NC(=O)c1cc(C)ccc1NC.
What is the InChIKey of N-heptan-2-yl-5-methyl-2-(methylamino)benzamide?
The InChIKey is NAEOGEBAYGBOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-6-7-8-13(3)18-16(19)14-11-12(2)9-10-15(14)17-4/h9-11,13,17H,5-8H2,1-4H3,(H,18,19).
What are the key properties of N-heptan-2-yl-5-methyl-2-(methylamino)benzamide?
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62509942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).