4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

C17H20N2O2 — CID 103794996

IUPAC4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-21-16-4-2-3-13(11-16)9-10-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyANCTYXNEPGPPIQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide

4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 103794996) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID103794996
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-21-16-4-2-3-13(11-16)9-10-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyANCTYXNEPGPPIQ-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 103794996) is 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is ANCTYXNEPGPPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-4-2-3-13(11-16)9-10-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide?
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 103794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).