N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide

C15H22N2O3 — CID 114758801

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2(CCN)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-11-3-4-13(20-2)12(9-11)14(18)17-10-15(5-6-15)7-8-16/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyYEZGCHFQROOJAG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.56
Rot. Bonds7

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide (PubChem CID 114758801) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
PubChem CID114758801
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC2(CCN)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-11-3-4-13(20-2)12(9-11)14(18)17-10-15(5-6-15)7-8-16/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyYEZGCHFQROOJAG-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethyl-2-methoxybenzamide
CID 115271280
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
N-[1-(chloromethyl)cyclohexyl]-2,5-dimethoxybenzamide
CID 114303372
2,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676570
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide (CID 114758801) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCC2(CCN)CC2)c1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
The InChIKey is YEZGCHFQROOJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-3-4-13(20-2)12(9-11)14(18)17-10-15(5-6-15)7-8-16/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 114758801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).