N,2-dimethyl-3-(nonan-2-ylamino)benzamide

C18H30N2O — CID 43734562

IUPACN,2-dimethyl-3-(nonan-2-ylamino)benzamide
SMILESCCCCCCCC(C)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-9-11-14(2)20-17-13-10-12-16(15(17)3)18(21)19-4/h10,12-14,20H,5-9,11H2,1-4H3,(H,19,21)
InChIKeyQSNXSCRXIBLOSE-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.52
Rot. Bonds9

About N,2-dimethyl-3-(nonan-2-ylamino)benzamide

N,2-dimethyl-3-(nonan-2-ylamino)benzamide (PubChem CID 43734562) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,2-dimethyl-3-(nonan-2-ylamino)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(nonan-2-ylamino)benzamide
PubChem CID43734562
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,2-dimethyl-3-(nonan-2-ylamino)benzamide
SMILESCCCCCCCC(C)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C18H30N2O/c1-5-6-7-8-9-11-14(2)20-17-13-10-12-16(15(17)3)18(21)19-4/h10,12-14,20H,5-9,11H2,1-4H3,(H,19,21)
InChIKeyQSNXSCRXIBLOSE-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.52
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

2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
2-methyl-3-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534463

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(nonan-2-ylamino)benzamide?
The IUPAC name of N,2-dimethyl-3-(nonan-2-ylamino)benzamide (CID 43734562) is N,2-dimethyl-3-(nonan-2-ylamino)benzamide.
What is the SMILES notation for N,2-dimethyl-3-(nonan-2-ylamino)benzamide?
The canonical SMILES for N,2-dimethyl-3-(nonan-2-ylamino)benzamide is CCCCCCCC(C)Nc1cccc(C(=O)NC)c1C.
What is the InChIKey of N,2-dimethyl-3-(nonan-2-ylamino)benzamide?
The InChIKey is QSNXSCRXIBLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-7-8-9-11-14(2)20-17-13-10-12-16(15(17)3)18(21)19-4/h10,12-14,20H,5-9,11H2,1-4H3,(H,19,21).
What are the key properties of N,2-dimethyl-3-(nonan-2-ylamino)benzamide?
N,2-dimethyl-3-(nonan-2-ylamino)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(nonan-2-ylamino)benzamide is sourced from PubChem (CID 43734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).