3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide

C10H20ClNO — CID 62728337

IUPAC3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO/c1-8(2)5-6-12(4)10(13)9(3)7-11/h8-9H,5-7H2,1-4H3
InChIKeySLJGPDZPJFGQJC-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.37
Rot. Bonds5

About 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide

3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide (PubChem CID 62728337) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
PubChem CID62728337
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO/c1-8(2)5-6-12(4)10(13)9(3)7-11/h8-9H,5-7H2,1-4H3
InChIKeySLJGPDZPJFGQJC-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
methyl 3-methyl-2-[methyl(3-methylbutyl)carbamoyl]butanoate
CID 115188069
1,3-dimethyl-1-(3-methylbutyl)-3-propan-2-ylurea
CID 159273198
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
3-acetamido-4-[[3-carboxy-1-[[3-carboxy-1-[methyl(3-methylbutyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 118284588
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide (CID 62728337) is 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide is CC(C)CCN(C)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide?
The InChIKey is SLJGPDZPJFGQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)5-6-12(4)10(13)9(3)7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide?
3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide has a molecular weight of 205.73 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 62728337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).