3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide

C12H22ClNO2 — CID 114948691

IUPAC3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO2/c1-11(2,8-13)10(15)14(3)9-12(16)6-4-5-7-12/h16H,4-9H2,1-3H3
InChIKeyHFRUEJDYDQKPMM-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide

3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 114948691) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID114948691
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC Name3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO2/c1-11(2,8-13)10(15)14(3)9-12(16)6-4-5-7-12/h16H,4-9H2,1-3H3
InChIKeyHFRUEJDYDQKPMM-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.01
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

2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 114037872
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
CID 114948724
N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 114953852
N-[(1-hydroxycyclopentyl)methyl]-N-methylbut-2-ynamide
CID 107262082
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115760153
(2R)-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 104985531
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide (CID 114948691) is 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide is CN(CC1(O)CCCC1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is HFRUEJDYDQKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-11(2,8-13)10(15)14(3)9-12(16)6-4-5-7-12/h16H,4-9H2,1-3H3.
What are the key properties of 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide?
3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 247.77 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114948691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).