N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide

C15H22N2O2 — CID 115271280

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NCC2(CN)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-11-4-5-13(19-2)12(8-11)14(18)17-10-15(9-16)6-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyUGWXMKWDHUOYQI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.73
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide (PubChem CID 115271280) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
PubChem CID115271280
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
SMILESCCc1ccc(OC)c(C(=O)NCC2(CN)CC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-11-4-5-13(19-2)12(8-11)14(18)17-10-15(9-16)6-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyUGWXMKWDHUOYQI-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 114758801
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165
5-ethyl-2-methoxybenzoic acid
CID 20721149
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
CID 56581644

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide (CID 115271280) is N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide is CCc1ccc(OC)c(C(=O)NCC2(CN)CC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide?
The InChIKey is UGWXMKWDHUOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-4-5-13(19-2)12(8-11)14(18)17-10-15(9-16)6-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide is sourced from PubChem (CID 115271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).