3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide

C15H26ClNO3 — CID 63666515

IUPAC3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H26ClNO3/c1-15(2,11-16)14(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3
InChIKeyAMINMSMGHJHJJG-UHFFFAOYSA-N
MW303.83 g/mol
LogP2.44
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide

3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide (PubChem CID 63666515) has the molecular formula C15H26ClNO3 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide
PubChem CID63666515
Molecular FormulaC15H26ClNO3
Molecular Weight303.83 g/mol
Exact Mass303.16
IUPAC Name3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H26ClNO3/c1-15(2,11-16)14(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3
InChIKeyAMINMSMGHJHJJG-UHFFFAOYSA-N
XLogP2.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 62836813
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-hydroxy-2,2-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 131997483
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
3-chloro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 4672801
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide (CID 63666515) is 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide is CC(C)(CCl)C(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide?
The InChIKey is AMINMSMGHJHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO3/c1-15(2,11-16)14(18)17(9-12-5-3-7-19-12)10-13-6-4-8-20-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide?
3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide has a molecular weight of 303.83 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 63666515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).