N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide

C18H26N4O3 — CID 1263369

IUPACN-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N4O3/c1-12(2)16(23)19-15-10-8-13(9-11-15)17(24)21-22-18(25)20-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyLULHOHOOMNWKJV-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.56
Rot. Bonds4

About N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide

N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide (PubChem CID 1263369) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide
PubChem CID1263369
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N4O3/c1-12(2)16(23)19-15-10-8-13(9-11-15)17(24)21-22-18(25)20-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25)
InChIKeyLULHOHOOMNWKJV-UHFFFAOYSA-N
XLogP2.56
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Diethylamino)benzohydrazide
CID 2063864
N'-butyl-4-(dimethylamino)benzohydrazide
CID 71306440
4-amino-N-(1-phenylpropan-2-yl)benzamide
CID 2845137
4-[(anilinocarbonyl)amino]-N-methylbenzamide
CID 726388
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
CID 117094795
N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydrochloride salt (12a)
CID 77014300
N-(4-{[2-(3-methylbenzoyl)hydrazino]carbonyl}phenyl)acetamide
CID 815559
2,2-dimethyl-N-{4-[N-(phenylcarbonylamino)carbamoyl]phenyl}propanamide
CID 815570
2,2-Dimethyl-N-{4-[N'-(3-methyl-benzoyl)-hydrazinocarbonyl]-phenyl}-propionamide
CID 1100700
1-[(4-Acetylphenyl)carbamothioylamino]-3-cyclohexylurea
CID 2422711
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
2-cyano-N-[4-[(cyclohexylcarbamothioylamino)carbamoyl]phenyl]acetamide
CID 4845630

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide (CID 1263369) is N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide?
The InChIKey is LULHOHOOMNWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)16(23)19-15-10-8-13(9-11-15)17(24)21-22-18(25)20-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25).
What are the key properties of N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide?
N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclohexylcarbamoylamino)carbamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 1263369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).