1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide

C14H20N2O3 — CID 115452599

IUPAC1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2(CN)CC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-12-8-10(4-5-11(12)18-2)16-13(17)14(9-15)6-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyJEWJJMYFDJDLJF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.77
Rot. Bonds6

About 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 115452599) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID115452599
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2(CN)CC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-12-8-10(4-5-11(12)18-2)16-13(17)14(9-15)6-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyJEWJJMYFDJDLJF-UHFFFAOYSA-N
XLogP1.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
CID 115185518
(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide (CID 115452599) is 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide is CCOc1cc(NC(=O)C2(CN)CC2)ccc1OC.
What is the InChIKey of 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is JEWJJMYFDJDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-12-8-10(4-5-11(12)18-2)16-13(17)14(9-15)6-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).