3-(heptan-3-ylamino)-N-methylbenzamide

C15H24N2O — CID 63944894

IUPAC3-(heptan-3-ylamino)-N-methylbenzamide
SMILESCCCCC(CC)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H24N2O/c1-4-6-9-13(5-2)17-14-10-7-8-12(11-14)15(18)16-3/h7-8,10-11,13,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyLOSBVGNVHSQQGF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.43
Rot. Bonds7

About 3-(heptan-3-ylamino)-N-methylbenzamide

3-(heptan-3-ylamino)-N-methylbenzamide (PubChem CID 63944894) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(heptan-3-ylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-(heptan-3-ylamino)-N-methylbenzamide
PubChem CID63944894
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(heptan-3-ylamino)-N-methylbenzamide
SMILESCCCCC(CC)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H24N2O/c1-4-6-9-13(5-2)17-14-10-7-8-12(11-14)15(18)16-3/h7-8,10-11,13,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyLOSBVGNVHSQQGF-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
N-methyl-3-(octylamino)benzamide
CID 43130223
N-heptan-3-yl-3-pyrrol-1-ylaniline
CID 63944364
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
3-(octan-2-ylamino)-N-propylbenzamide
CID 43676007
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
3-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-N-methylbenzamide
CID 143675464

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-3-ylamino)-N-methylbenzamide?
The IUPAC name of 3-(heptan-3-ylamino)-N-methylbenzamide (CID 63944894) is 3-(heptan-3-ylamino)-N-methylbenzamide.
What is the SMILES notation for 3-(heptan-3-ylamino)-N-methylbenzamide?
The canonical SMILES for 3-(heptan-3-ylamino)-N-methylbenzamide is CCCCC(CC)Nc1cccc(C(=O)NC)c1.
What is the InChIKey of 3-(heptan-3-ylamino)-N-methylbenzamide?
The InChIKey is LOSBVGNVHSQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-9-13(5-2)17-14-10-7-8-12(11-14)15(18)16-3/h7-8,10-11,13,17H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 3-(heptan-3-ylamino)-N-methylbenzamide?
3-(heptan-3-ylamino)-N-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-3-ylamino)-N-methylbenzamide is sourced from PubChem (CID 63944894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).