N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide

C12H22ClNO2 — CID 104555648

IUPACN-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
SMILESCC(CCl)N(C)C(=O)CCC1CCCCO1
InChIInChI=1S/C12H22ClNO2/c1-10(9-13)14(2)12(15)7-6-11-5-3-4-8-16-11/h10-11H,3-9H2,1-2H3
InChIKeyDMHNZZUIZSQHAJ-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.42
Rot. Bonds5

About N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide

N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide (PubChem CID 104555648) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
PubChem CID104555648
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
SMILESCC(CCl)N(C)C(=O)CCC1CCCCO1
InChIInChI=1S/C12H22ClNO2/c1-10(9-13)14(2)12(15)7-6-11-5-3-4-8-16-11/h10-11H,3-9H2,1-2H3
InChIKeyDMHNZZUIZSQHAJ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.42
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-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
N-(3-hydroxypropyl)-3-(oxan-2-yl)-N-propan-2-ylpropanamide
CID 63952166
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
4-[ethyl-[3-(oxan-2-yl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66246421

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide (CID 104555648) is N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide is CC(CCl)N(C)C(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide?
The InChIKey is DMHNZZUIZSQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-10(9-13)14(2)12(15)7-6-11-5-3-4-8-16-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide?
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide has a molecular weight of 247.77 g/mol, XLogP of 2.42, 5 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-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 104555648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).