N-butyl-N-(2-chloroethyl)-3-methylbutanamide

C11H22ClNO — CID 63390877

IUPACN-butyl-N-(2-chloroethyl)-3-methylbutanamide
SMILESCCCCN(CCCl)C(=O)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-4-5-7-13(8-6-12)11(14)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyXMRMSLFPLYIMME-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.90
Rot. Bonds7

About N-butyl-N-(2-chloroethyl)-3-methylbutanamide

N-butyl-N-(2-chloroethyl)-3-methylbutanamide (PubChem CID 63390877) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-3-methylbutanamide
PubChem CID63390877
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-butyl-N-(2-chloroethyl)-3-methylbutanamide
SMILESCCCCN(CCCl)C(=O)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-4-5-7-13(8-6-12)11(14)9-10(2)3/h10H,4-9H2,1-3H3
InChIKeyXMRMSLFPLYIMME-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.90
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

N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
CID 63391075
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
CID 65159288
2-chloro-N,N-di(nonyl)acetamide
CID 533173
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
(3S)-3-bromo-N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 129383719
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-methylbutanamide
CID 42763071
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-3-methylbutanamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-3-methylbutanamide (CID 63390877) is N-butyl-N-(2-chloroethyl)-3-methylbutanamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-3-methylbutanamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-3-methylbutanamide is CCCCN(CCCl)C(=O)CC(C)C.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-3-methylbutanamide?
The InChIKey is XMRMSLFPLYIMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-5-7-13(8-6-12)11(14)9-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-3-methylbutanamide?
N-butyl-N-(2-chloroethyl)-3-methylbutanamide has a molecular weight of 219.76 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-3-methylbutanamide is sourced from PubChem (CID 63390877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).