1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide

C16H23N3O2 — CID 80593406

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
SMILESCCCc1ccc(NC(=O)C2(/C(N)=N/O)CC(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-4-12-5-7-13(8-6-12)18-15(20)16(14(17)19-21)9-11(2)10-16/h5-8,11,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMXYUGDTUKMJVAP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.74
Rot. Bonds5

About 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide (PubChem CID 80593406) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
PubChem CID80593406
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
SMILESCCCc1ccc(NC(=O)C2(/C(N)=N/O)CC(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-3-4-12-5-7-13(8-6-12)18-15(20)16(14(17)19-21)9-11(2)10-16/h5-8,11,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMXYUGDTUKMJVAP-UHFFFAOYSA-N
XLogP2.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 80588204
1-[(E)-N'-hydroxycarbamimidoyl]-N-[4-(2-hydroxyethyl)phenyl]cyclopropane-1-carboxamide
CID 80597453
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
N-(4-bromo-3-methoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 82858720
N-[4-(diethylamino)phenyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80598069
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80592413
N-(3-ethylpentan-3-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594468
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxy-5-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 80593283
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(thiophen-3-ylmethyl)cyclobutane-1-carboxamide
CID 80594281
N-(4-bromo-2-chlorophenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80596685
N-(2-chloro-4-fluorophenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80590831
N-(4-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80598056

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide (CID 80593406) is 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide is CCCc1ccc(NC(=O)C2(/C(N)=N/O)CC(C)C2)cc1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
The InChIKey is MXYUGDTUKMJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-12-5-7-13(8-6-12)18-15(20)16(14(17)19-21)9-11(2)10-16/h5-8,11,21H,3-4,9-10H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80593406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).