2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

C15H19N3O2 — CID 47146193

IUPAC2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-16-15(20)18-12-6-4-11(5-7-12)17-14(19)13-9-10(13)2/h3-7,10,13H,1,8-9H2,2H3,(H,17,19)(H2,16,18,20)
InChIKeyIFWLUHHOCJWPBC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 47146193) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID47146193
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-16-15(20)18-12-6-4-11(5-7-12)17-14(19)13-9-10(13)2/h3-7,10,13H,1,8-9H2,2H3,(H,17,19)(H2,16,18,20)
InChIKeyIFWLUHHOCJWPBC-UHFFFAOYSA-N
XLogP2.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 119702306
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
ethyl 4-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131183
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (CID 47146193) is 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IFWLUHHOCJWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-16-15(20)18-12-6-4-11(5-7-12)17-14(19)13-9-10(13)2/h3-7,10,13H,1,8-9H2,2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47146193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).