1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide

C14H20N2O2 — CID 119772031

IUPAC1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-6-2-4-11(10-12)5-3-9-16-13(17)14(15)7-8-14/h2,4,6,10H,3,5,7-9,15H2,1H3,(H,16,17)
InChIKeyQWZQZBHVXNTDQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds6

About 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide

1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide (PubChem CID 119772031) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
PubChem CID119772031
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(CCCNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-12-6-2-4-11(10-12)5-3-9-16-13(17)14(15)7-8-14/h2,4,6,10H,3,5,7-9,15H2,1H3,(H,16,17)
InChIKeyQWZQZBHVXNTDQE-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
1-amino-N-[3-(3-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119331598
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide (CID 119772031) is 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide is COc1cccc(CCCNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The InChIKey is QWZQZBHVXNTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-6-2-4-11(10-12)5-3-9-16-13(17)14(15)7-8-14/h2,4,6,10H,3,5,7-9,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119772031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).