N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide

C10H20ClNO2 — CID 106183361

IUPACN-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
SMILESCOCC(CCl)NC(=O)CCC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)4-5-10(13)12-9(6-11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyYFMZBUXCHGGJQQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds7

About N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide

N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide (PubChem CID 106183361) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
PubChem CID106183361
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
SMILESCOCC(CCl)NC(=O)CCC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)4-5-10(13)12-9(6-11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyYFMZBUXCHGGJQQ-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.79
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-(1-chlorobutan-2-yl)-4-methylpentanamide
CID 114294455
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
CID 106182300
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
CID 106182256
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpropanamide
CID 106155168

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide (CID 106183361) is N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide is COCC(CCl)NC(=O)CCC(C)C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide?
The InChIKey is YFMZBUXCHGGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-8(2)4-5-10(13)12-9(6-11)7-14-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide?
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 106183361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).