3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide

C17H23ClN4O — CID 123195573

IUPAC3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide
SMILESCC1CCCCC1/N=C/C(C(N)=O)/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN4O/c1-11-4-2-3-5-15(11)21-10-14(17(20)23)16(19)22-13-8-6-12(18)7-9-13/h6-11,14-15H,2-5H2,1H3,(H2,19,22)(H2,20,23)/b21-10+
InChIKeyYSNDDPWQMIOGKF-UFFVCSGVSA-N
MW334.85 g/mol
LogP3.08
Rot. Bonds5

About 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide

3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide (PubChem CID 123195573) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide.

Molecular Properties

Compound Name3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide
PubChem CID123195573
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide
SMILESCC1CCCCC1/N=C/C(C(N)=O)/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN4O/c1-11-4-2-3-5-15(11)21-10-14(17(20)23)16(19)22-13-8-6-12(18)7-9-13/h6-11,14-15H,2-5H2,1H3,(H2,19,22)(H2,20,23)/b21-10+
InChIKeyYSNDDPWQMIOGKF-UFFVCSGVSA-N
XLogP3.08
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide?
The IUPAC name of 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide (CID 123195573) is 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide.
What is the SMILES notation for 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide?
The canonical SMILES for 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide is CC1CCCCC1/N=C/C(C(N)=O)/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide?
The InChIKey is YSNDDPWQMIOGKF-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-11-4-2-3-5-15(11)21-10-14(17(20)23)16(19)22-13-8-6-12(18)7-9-13/h6-11,14-15H,2-5H2,1H3,(H2,19,22)(H2,20,23)/b21-10+.
What are the key properties of 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide?
3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide has a molecular weight of 334.85 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chlorophenyl)imino-2-[(2-methylcyclohexyl)iminomethyl]propanamide is sourced from PubChem (CID 123195573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).