1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide

C15H22N2O2 — CID 115189955

IUPAC1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)C1(N)CC1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)13(19-3)12(9-10)4-7-17-14(18)15(16)5-6-15/h8-9H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyMLMSQBHFTCIDSI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds5

About 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115189955) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115189955
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)C1(N)CC1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)13(19-3)12(9-10)4-7-17-14(18)15(16)5-6-15/h8-9H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyMLMSQBHFTCIDSI-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181583
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115189955) is 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide is COc1c(C)cc(C)cc1CCNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MLMSQBHFTCIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-11(2)13(19-3)12(9-10)4-7-17-14(18)15(16)5-6-15/h8-9H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.46, 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-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).