N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide

C10H18ClNO2 — CID 104555697

IUPACN-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCC(CCl)N(C)C(=O)CC1CCCO1
InChIInChI=1S/C10H18ClNO2/c1-8(7-11)12(2)10(13)6-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3
InChIKeyYFILUTFKUYUTJA-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.64
Rot. Bonds4

About N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide

N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide (PubChem CID 104555697) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
PubChem CID104555697
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
SMILESCC(CCl)N(C)C(=O)CC1CCCO1
InChIInChI=1S/C10H18ClNO2/c1-8(7-11)12(2)10(13)6-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3
InChIKeyYFILUTFKUYUTJA-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
CID 104555648
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
2-methyl-3-[methyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 62032283
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
CID 65159288
4-methyl-1-(oxolan-2-yl)hexan-2-one
CID 62621142
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide (CID 104555697) is N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide is CC(CCl)N(C)C(=O)CC1CCCO1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide?
The InChIKey is YFILUTFKUYUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(7-11)12(2)10(13)6-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide?
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide has a molecular weight of 219.71 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 104555697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).