N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide

C23H38N4O5 — CID 144669377

IUPACN-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(O)CC1.COc1ccc(CC(=O)N=C(N)N)cc1OC
InChIInChI=1S/C12H23NO2.C11H15N3O3/c1-9(2)3-8-12(15)13-10-4-6-11(14)7-5-10;1-16-8-4-3-7(5-9(8)17-2)6-10(15)14-11(12)13/h9-11,14H,3-8H2,1-2H3,(H,13,15);3-5H,6H2,1-2H3,(H4,12,13,14,15)
InChIKeyXFLPKDDJDUULIW-UHFFFAOYSA-N
MW450.58 g/mol
LogP1.89
Rot. Bonds8

About N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide

N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide (PubChem CID 144669377) has the molecular formula C23H38N4O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide
PubChem CID144669377
Molecular FormulaC23H38N4O5
Molecular Weight450.58 g/mol
Exact Mass450.28
IUPAC NameN-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(O)CC1.COc1ccc(CC(=O)N=C(N)N)cc1OC
InChIInChI=1S/C12H23NO2.C11H15N3O3/c1-9(2)3-8-12(15)13-10-4-6-11(14)7-5-10;1-16-8-4-3-7(5-9(8)17-2)6-10(15)14-11(12)13/h9-11,14H,3-8H2,1-2H3,(H,13,15);3-5H,6H2,1-2H3,(H4,12,13,14,15)
InChIKeyXFLPKDDJDUULIW-UHFFFAOYSA-N
XLogP1.89
TPSA149.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;4-methyl-N-(oxan-4-yl)pentanamide
CID 144669624
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-[[3-[(Z)-C-aminocarbonohydrazonoyl]phenyl]methyl]-4-methylpentanamide;N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide
CID 144669534
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-cyclobutyl-4-methylpentanamide
CID 90294650
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
N-cyclopropyl-3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanamide
CID 62626635
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide?
The IUPAC name of N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide (CID 144669377) is N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide?
The canonical SMILES for N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide is CC(C)CCC(=O)NC1CCC(O)CC1.COc1ccc(CC(=O)N=C(N)N)cc1OC.
What is the InChIKey of N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide?
The InChIKey is XFLPKDDJDUULIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H15N3O3/c1-9(2)3-8-12(15)13-10-4-6-11(14)7-5-10;1-16-8-4-3-7(5-9(8)17-2)6-10(15)14-11(12)13/h9-11,14H,3-8H2,1-2H3,(H,13,15);3-5H,6H2,1-2H3,(H4,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide?
N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide has a molecular weight of 450.58 g/mol, XLogP of 1.89, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(3,4-dimethoxyphenyl)acetamide;N-(4-hydroxycyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 144669377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).