3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide

C24H40N4O2 — CID 144669551

IUPAC3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)CCC1CCCCC1.NC(N)=NC(=O)CCc1ccccc1
InChIInChI=1S/C14H27NO.C10H13N3O/c1-3-12(2)11-15-14(16)10-9-13-7-5-4-6-8-13;11-10(12)13-9(14)7-6-8-4-2-1-3-5-8/h12-13H,3-11H2,1-2H3,(H,15,16);1-5H,6-7H2,(H4,11,12,13,14)
InChIKeyIZTIIFQPEFGOHV-UHFFFAOYSA-N
MW416.61 g/mol
LogP3.93
Rot. Bonds9

About 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide

3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide (PubChem CID 144669551) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide
PubChem CID144669551
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)CCC1CCCCC1.NC(N)=NC(=O)CCc1ccccc1
InChIInChI=1S/C14H27NO.C10H13N3O/c1-3-12(2)11-15-14(16)10-9-13-7-5-4-6-8-13;11-10(12)13-9(14)7-6-8-4-2-1-3-5-8/h12-13H,3-11H2,1-2H3,(H,15,16);1-5H,6-7H2,(H4,11,12,13,14)
InChIKeyIZTIIFQPEFGOHV-UHFFFAOYSA-N
XLogP3.93
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
3-benzyl-N-(diaminomethylidene)-4-oxobutanamide;3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide;methane
CID 144669418
N-(diaminomethylidene)-5-phenylpentanamide
CID 56974578
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide?
The IUPAC name of 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide (CID 144669551) is 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide is CCC(C)CNC(=O)CCC1CCCCC1.NC(N)=NC(=O)CCc1ccccc1.
What is the InChIKey of 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide?
The InChIKey is IZTIIFQPEFGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.C10H13N3O/c1-3-12(2)11-15-14(16)10-9-13-7-5-4-6-8-13;11-10(12)13-9(14)7-6-8-4-2-1-3-5-8/h12-13H,3-11H2,1-2H3,(H,15,16);1-5H,6-7H2,(H4,11,12,13,14).
What are the key properties of 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide?
3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide has a molecular weight of 416.61 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methylbutyl)propanamide;N-(diaminomethylidene)-3-phenylpropanamide is sourced from PubChem (CID 144669551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).