4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide

C19H24N2O2 — CID 119331702

IUPAC4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)16-5-3-15(13-20)4-6-16/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyBFQZISPFNAYVMD-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.82
Rot. Bonds7

About 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide

4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide (PubChem CID 119331702) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
PubChem CID119331702
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)16-5-3-15(13-20)4-6-16/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyBFQZISPFNAYVMD-UHFFFAOYSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170770
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide (CID 119331702) is 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide is CC(C)CCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide?
The InChIKey is BFQZISPFNAYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)16-5-3-15(13-20)4-6-16/h3-10,14H,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide?
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide is sourced from PubChem (CID 119331702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).