4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

C20H27N3O2 — CID 119739177

IUPAC4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-3-12-23(13-4-2)20(25)15-8-10-18(11-9-15)22-19(24)16-6-5-7-17(21)14-16/h3-4,8-11,16-17H,1-2,5-7,12-14,21H2,(H,22,24)
InChIKeyMONJCDRXJILAQD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.96
Rot. Bonds7

About 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 119739177) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
PubChem CID119739177
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C20H27N3O2/c1-3-12-23(13-4-2)20(25)15-8-10-18(11-9-15)22-19(24)16-6-5-7-17(21)14-16/h3-4,8-11,16-17H,1-2,5-7,12-14,21H2,(H,22,24)
InChIKeyMONJCDRXJILAQD-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739172
3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 119702306
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-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (CID 119739177) is 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is MONJCDRXJILAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-12-23(13-4-2)20(25)15-8-10-18(11-9-15)22-19(24)16-6-5-7-17(21)14-16/h3-4,8-11,16-17H,1-2,5-7,12-14,21H2,(H,22,24).
What are the key properties of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 119739177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).