1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide

C13H17N3O2 — CID 65464427

IUPAC1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1(N)CC1
InChIInChI=1S/C13H17N3O2/c1-15-11(17)8-9-4-2-3-5-10(9)16-12(18)13(14)6-7-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyPMWYIOICIOHRSJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.40
Rot. Bonds4

About 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide

1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 65464427) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID65464427
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1(N)CC1
InChIInChI=1S/C13H17N3O2/c1-15-11(17)8-9-4-2-3-5-10(9)16-12(18)13(14)6-7-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyPMWYIOICIOHRSJ-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
N-methyl-2-[2-[(4-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 47033746
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
1-amino-N-(2,6-diethylphenyl)cyclopropane-1-carboxamide
CID 65463970
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
2-methyl-2-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55121879

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide (CID 65464427) is 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide is CNC(=O)Cc1ccccc1NC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is PMWYIOICIOHRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-11(17)8-9-4-2-3-5-10(9)16-12(18)13(14)6-7-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide?
1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 65464427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).