N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide

C14H26ClNO2 — CID 113272518

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)CC(CCl)NC(=O)CCC1CCCCO1
InChIInChI=1S/C14H26ClNO2/c1-11(2)9-12(10-15)16-14(17)7-6-13-5-3-4-8-18-13/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQBADMJZKALRKK-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.11
Rot. Bonds7

About N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide

N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 113272518) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID113272518
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
SMILESCC(C)CC(CCl)NC(=O)CCC1CCCCO1
InChIInChI=1S/C14H26ClNO2/c1-11(2)9-12(10-15)16-14(17)7-6-13-5-3-4-8-18-13/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyKQBADMJZKALRKK-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.11
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-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771
N-(1-chloro-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 114305527
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
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide (CID 113272518) is N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide is CC(C)CC(CCl)NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is KQBADMJZKALRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-11(2)9-12(10-15)16-14(17)7-6-13-5-3-4-8-18-13/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide?
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 275.82 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 113272518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).