N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide

C12H22ClNO3 — CID 106183350

IUPACN-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCOCC(CCl)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H22ClNO3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyLDPLXBJJRDYSNV-UHFFFAOYSA-N
MW263.76 g/mol
LogP1.71
Rot. Bonds7

About N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide

N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 106183350) has the molecular formula C12H22ClNO3 and a molecular weight of 263.76 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID106183350
Molecular FormulaC12H22ClNO3
Molecular Weight263.76 g/mol
Exact Mass263.13
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCOCC(CCl)NC(=O)CCC1CCCCO1
InChIInChI=1S/C12H22ClNO3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyLDPLXBJJRDYSNV-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide (CID 106183350) is N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide is COCC(CCl)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is LDPLXBJJRDYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO3/c1-16-9-10(8-13)14-12(15)6-5-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide?
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 263.76 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 106183350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).