N-methyl-4-[(nonan-2-ylamino)methyl]benzamide

C18H30N2O — CID 43129912

IUPACN-methyl-4-[(nonan-2-ylamino)methyl]benzamide
SMILESCCCCCCCC(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-15(2)20-14-16-10-12-17(13-11-16)18(21)19-3/h10-13,15,20H,4-9,14H2,1-3H3,(H,19,21)
InChIKeyQAZODNNDOIVKOQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.88
Rot. Bonds10

About N-methyl-4-[(nonan-2-ylamino)methyl]benzamide

N-methyl-4-[(nonan-2-ylamino)methyl]benzamide (PubChem CID 43129912) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-methyl-4-[(nonan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(nonan-2-ylamino)methyl]benzamide
PubChem CID43129912
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-methyl-4-[(nonan-2-ylamino)methyl]benzamide
SMILESCCCCCCCC(C)NCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-15(2)20-14-16-10-12-17(13-11-16)18(21)19-3/h10-13,15,20H,4-9,14H2,1-3H3,(H,19,21)
InChIKeyQAZODNNDOIVKOQ-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.88
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

4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
CID 115626105
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
4-(bromomethyl)-N-octan-2-ylbenzamide
CID 102851160
(2R)-N-benzylheptan-2-amine
CID 14923313
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(nonan-2-ylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(nonan-2-ylamino)methyl]benzamide (CID 43129912) is N-methyl-4-[(nonan-2-ylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(nonan-2-ylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(nonan-2-ylamino)methyl]benzamide is CCCCCCCC(C)NCc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[(nonan-2-ylamino)methyl]benzamide?
The InChIKey is QAZODNNDOIVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-6-7-8-9-15(2)20-14-16-10-12-17(13-11-16)18(21)19-3/h10-13,15,20H,4-9,14H2,1-3H3,(H,19,21).
What are the key properties of N-methyl-4-[(nonan-2-ylamino)methyl]benzamide?
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide has a molecular weight of 290.45 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(nonan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 43129912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).