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

C20H22N2O3 — CID 51092369

IUPACN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3ccc(OCC(N)=O)cc3C)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-13-4-3-5-15(10-13)20(8-9-20)19(24)22-17-7-6-16(11-14(17)2)25-12-18(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyBNGROJSKBZVGRD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.84
Rot. Bonds6

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

N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 51092369) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID51092369
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3ccc(OCC(N)=O)cc3C)CC2)c1
InChIInChI=1S/C20H22N2O3/c1-13-4-3-5-15(10-13)20(8-9-20)19(24)22-17-7-6-16(11-14(17)2)25-12-18(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyBNGROJSKBZVGRD-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-3-bromoadamantane-1-carboxamide
CID 98464635
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-2-(2,5-difluorophenyl)acetamide
CID 75374358
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
N-(2-cyano-4-methoxyphenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748457
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide (CID 51092369) is N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)Nc3ccc(OCC(N)=O)cc3C)CC2)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is BNGROJSKBZVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-4-3-5-15(10-13)20(8-9-20)19(24)22-17-7-6-16(11-14(17)2)25-12-18(21)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51092369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).