1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide

C16H24N2O3 — CID 115447690

IUPAC1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11(18-15(19)16(10-17)7-4-8-16)13-9-12(20-2)5-6-14(13)21-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,19)
InChIKeyZYUQTHNQRJMXLG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds6

About 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115447690) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115447690
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11(18-15(19)16(10-17)7-4-8-16)13-9-12(20-2)5-6-14(13)21-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,19)
InChIKeyZYUQTHNQRJMXLG-UHFFFAOYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide (CID 115447690) is 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide is COc1ccc(OC)c(C(C)NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is ZYUQTHNQRJMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(18-15(19)16(10-17)7-4-8-16)13-9-12(20-2)5-6-14(13)21-3/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115447690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).