N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide

C16H22ClN3O2 — CID 4307619

IUPACN-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C16H22ClN3O2/c1-11(16(2,3)4)19-20-15(22)10-9-14(21)18-13-8-6-5-7-12(13)17/h5-8H,9-10H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyXCEGWYRAVUOUQX-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.60
Rot. Bonds5

About N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide

N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide (PubChem CID 4307619) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
PubChem CID4307619
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C16H22ClN3O2/c1-11(16(2,3)4)19-20-15(22)10-9-14(21)18-13-8-6-5-7-12(13)17/h5-8H,9-10H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyXCEGWYRAVUOUQX-UHFFFAOYSA-N
XLogP3.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
CID 135418705
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
CID 6169328
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(3-chloro-2-methylphenyl)-N'-[(Z)-1-cyclopropylethylideneamino]butanediamide
CID 6290102
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide (CID 4307619) is N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)C(C)(C)C.
What is the InChIKey of N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide?
The InChIKey is XCEGWYRAVUOUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(16(2,3)4)19-20-15(22)10-9-14(21)18-13-8-6-5-7-12(13)17/h5-8H,9-10H2,1-4H3,(H,18,21)(H,20,22).
What are the key properties of N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide?
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide has a molecular weight of 323.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide is sourced from PubChem (CID 4307619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).