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

C14H21ClN4O2 — CID 119704507

IUPAC1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C14H20N4O2.ClH/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);1H
InChIKeyLAASAZOBVPEAKA-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.07
Rot. Bonds4

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

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119704507) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119704507
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C14H20N4O2.ClH/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);1H
InChIKeyLAASAZOBVPEAKA-UHFFFAOYSA-N
XLogP2.07
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.07
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
CID 119704508
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
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
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
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;hydrochloride?
The IUPAC name of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119704507) is 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is CC(C)NC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LAASAZOBVPEAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/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);1H.
What are the key properties of 1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 119704507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).