N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide

C11H22ClNO — CID 115364703

IUPACN-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-8(2)9(3)10(14)13-7-11(4,5)6-12/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyVZZODVZSFNRBBU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.66
Rot. Bonds5

About N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide

N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide (PubChem CID 115364703) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
PubChem CID115364703
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC(C)(C)CCl
InChIInChI=1S/C11H22ClNO/c1-8(2)9(3)10(14)13-7-11(4,5)6-12/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyVZZODVZSFNRBBU-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
CID 163905710
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutanamide
CID 81430946
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282359
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
CID 107156655
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
CID 115456092
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide
CID 130332966
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide (CID 115364703) is N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCC(C)(C)CCl.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide?
The InChIKey is VZZODVZSFNRBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-8(2)9(3)10(14)13-7-11(4,5)6-12/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide?
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide has a molecular weight of 219.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide is sourced from PubChem (CID 115364703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).