3-chloro-2-methyl-N-(3-methylbutyl)propanamide

C9H18ClNO — CID 62726569

IUPAC3-chloro-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)CCl
InChIInChI=1S/C9H18ClNO/c1-7(2)4-5-11-9(12)8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyKKGZAVIQYSKAKU-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.02
Rot. Bonds5

About 3-chloro-2-methyl-N-(3-methylbutyl)propanamide

3-chloro-2-methyl-N-(3-methylbutyl)propanamide (PubChem CID 62726569) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-methylbutyl)propanamide
PubChem CID62726569
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-chloro-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)CCl
InChIInChI=1S/C9H18ClNO/c1-7(2)4-5-11-9(12)8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyKKGZAVIQYSKAKU-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.02
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

1,3-bis(3-methylbutyl)urea
CID 22563958
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
N-(3-amino-3-oxopropyl)-3-chloro-2-methylpropanamide
CID 62728851
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
CID 82715896
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-methylbutyl)propanamide (CID 62726569) is 3-chloro-2-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is KKGZAVIQYSKAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)4-5-11-9(12)8(3)6-10/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-chloro-2-methyl-N-(3-methylbutyl)propanamide?
3-chloro-2-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 191.70 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 62726569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).