3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide

C12H22ClNO — CID 107397616

IUPAC3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO/c1-4-14(8-10-6-5-7-10)11(15)12(2,3)9-13/h10H,4-9H2,1-3H3
InChIKeyGOMZIKKXFCTWJS-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.90
Rot. Bonds5

About 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide

3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide (PubChem CID 107397616) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
PubChem CID107397616
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H22ClNO/c1-4-14(8-10-6-5-7-10)11(15)12(2,3)9-13/h10H,4-9H2,1-3H3
InChIKeyGOMZIKKXFCTWJS-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
N-(cyclobutylmethyl)-N-ethyl-2,2,3,3,3-pentafluoropropanamide
CID 114038274
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
CID 63665289
3-chloro-2,2-dimethyl-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 63666515
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
CID 114290733
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid
CID 107400040
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide (CID 107397616) is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide is CCN(CC1CCC1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is GOMZIKKXFCTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-4-14(8-10-6-5-7-10)11(15)12(2,3)9-13/h10H,4-9H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide?
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 231.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 107397616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).