N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide

C9H18ClNO2 — CID 106155168

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCC(CCCl)NC(=O)C(C)C
InChIInChI=1S/C9H18ClNO2/c1-7(2)9(12)11-8(4-5-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyFLIXDKKUCHMXCN-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.40
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide

N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide (PubChem CID 106155168) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
PubChem CID106155168
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
SMILESCOCC(CCCl)NC(=O)C(C)C
InChIInChI=1S/C9H18ClNO2/c1-7(2)9(12)11-8(4-5-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyFLIXDKKUCHMXCN-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-2-cyclopropylpropanamide
CID 106155081
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106155742
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
N-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158321
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide (CID 106155168) is N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide is COCC(CCCl)NC(=O)C(C)C.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide?
The InChIKey is FLIXDKKUCHMXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-7(2)9(12)11-8(4-5-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide?
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide has a molecular weight of 207.70 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 106155168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).