5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide

C11H22ClNO — CID 115749589

IUPAC5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
SMILESCC(NC(=O)CCCCCl)C(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-9(11(2,3)4)13-10(14)7-5-6-8-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyZSZHDSZEWHOTRB-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.95
Rot. Bonds5

About 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide

5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide (PubChem CID 115749589) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
PubChem CID115749589
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
SMILESCC(NC(=O)CCCCCl)C(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-9(11(2,3)4)13-10(14)7-5-6-8-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyZSZHDSZEWHOTRB-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,3-dimethylbutan-2-ylamino)-5-oxopentanoic acid
CID 104827520
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
5-chloro-N-(1,3-dihydroxypropan-2-yl)pentanamide
CID 65312302
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
4-chloro-N-(2,3,3-trimethylbutyl)butanamide
CID 83142123
octyl 2-(5-chloropentanoylamino)propanoate
CID 91692214
butyl 2-(5-chloropentanoylamino)-3-methylbutanoate
CID 91696229
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide (CID 115749589) is 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide is CC(NC(=O)CCCCCl)C(C)(C)C.
What is the InChIKey of 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide?
The InChIKey is ZSZHDSZEWHOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(11(2,3)4)13-10(14)7-5-6-8-12/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide?
5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide has a molecular weight of 219.76 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide is sourced from PubChem (CID 115749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).