1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide

C14H20N2O2 — CID 115189923

IUPAC1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(N)CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(3-4-12(10)18-2)5-8-16-13(17)14(15)6-7-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyQRUIFPKRSACALB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds5

About 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115189923) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115189923
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(N)CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(3-4-12(10)18-2)5-8-16-13(17)14(15)6-7-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)
InChIKeyQRUIFPKRSACALB-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115189923) is 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccc(CCNC(=O)C2(N)CC2)cc1C.
What is the InChIKey of 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QRUIFPKRSACALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-11(3-4-12(10)18-2)5-8-16-13(17)14(15)6-7-14/h3-4,9H,5-8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).