1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide

C18H20N2O2 — CID 119777807

IUPAC1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C1(N)CC1
InChIInChI=1S/C18H20N2O2/c1-13-6-2-4-8-15(13)22-16-9-5-3-7-14(16)12-20-17(21)18(19)10-11-18/h2-9H,10-12,19H2,1H3,(H,20,21)
InChIKeyYJMSGCNLMCMXFZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.89
Rot. Bonds5

About 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119777807) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID119777807
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C1(N)CC1
InChIInChI=1S/C18H20N2O2/c1-13-6-2-4-8-15(13)22-16-9-5-3-7-14(16)12-20-17(21)18(19)10-11-18/h2-9H,10-12,19H2,1H3,(H,20,21)
InChIKeyYJMSGCNLMCMXFZ-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide (CID 119777807) is 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide is Cc1ccccc1Oc1ccccc1CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YJMSGCNLMCMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-2-4-8-15(13)22-16-9-5-3-7-14(16)12-20-17(21)18(19)10-11-18/h2-9H,10-12,19H2,1H3,(H,20,21).
What are the key properties of 1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.89, 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-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119777807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).