3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide

C17H24N4O2 — CID 119702306

IUPAC3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H24N4O2/c1-2-10-19-17(23)21-15-8-6-14(7-9-15)20-16(22)12-4-3-5-13(18)11-12/h2,6-9,12-13H,1,3-5,10-11,18H2,(H,20,22)(H2,19,21,23)
InChIKeyJMPBRLMPZJEAIK-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.45
Rot. Bonds5

About 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119702306) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119702306
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H24N4O2/c1-2-10-19-17(23)21-15-8-6-14(7-9-15)20-16(22)12-4-3-5-13(18)11-12/h2,6-9,12-13H,1,3-5,10-11,18H2,(H,20,22)(H2,19,21,23)
InChIKeyJMPBRLMPZJEAIK-UHFFFAOYSA-N
XLogP2.45
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739177
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
2-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 47146193
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide (CID 119702306) is 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JMPBRLMPZJEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-10-19-17(23)21-15-8-6-14(7-9-15)20-16(22)12-4-3-5-13(18)11-12/h2,6-9,12-13H,1,3-5,10-11,18H2,(H,20,22)(H2,19,21,23).
What are the key properties of 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).