3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide

C17H20ClNO — CID 63678616

IUPAC3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
SMILESCCN(C(=O)C(C)(C)CCl)c1cccc2ccccc12
InChIInChI=1S/C17H20ClNO/c1-4-19(16(20)17(2,3)12-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4,12H2,1-3H3
InChIKeyVEOSUMDYJNAXDF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.46
Rot. Bonds4

About 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide

3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide (PubChem CID 63678616) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
PubChem CID63678616
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
SMILESCCN(C(=O)C(C)(C)CCl)c1cccc2ccccc12
InChIInChI=1S/C17H20ClNO/c1-4-19(16(20)17(2,3)12-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4,12H2,1-3H3
InChIKeyVEOSUMDYJNAXDF-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.46
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-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
CID 55356747
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
3-bromo-N-ethyl-N-naphthalen-1-ylthiophene-2-carboxamide
CID 55760696
2-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylpropanamide
CID 81082117
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide (CID 63678616) is 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide is CCN(C(=O)C(C)(C)CCl)c1cccc2ccccc12.
What is the InChIKey of 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide?
The InChIKey is VEOSUMDYJNAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19(16(20)17(2,3)12-18)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide?
3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide has a molecular weight of 289.81 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 63678616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).