1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

C14H20N4O2 — CID 119704508

IUPAC1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H20N4O2/c1-9(2)16-13(20)18-11-5-3-10(4-6-11)17-12(19)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyASTPXAMXRXEMCN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.65
Rot. Bonds4

About 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 119704508) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID119704508
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H20N4O2/c1-9(2)16-13(20)18-11-5-3-10(4-6-11)17-12(19)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyASTPXAMXRXEMCN-UHFFFAOYSA-N
XLogP1.65
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703596
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide (CID 119704508) is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ASTPXAMXRXEMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)16-13(20)18-11-5-3-10(4-6-11)17-12(19)14(15)7-8-14/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119704508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).