3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide

C16H25ClN2O — CID 63679963

IUPAC3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
SMILESCCN(CCCNC(=O)C(C)(C)CCl)c1ccccc1
InChIInChI=1S/C16H25ClN2O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-15(20)16(2,3)13-17/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,18,20)
InChIKeySBDQPJCCGXABRX-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.28
Rot. Bonds8

About 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide

3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide (PubChem CID 63679963) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
PubChem CID63679963
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
SMILESCCN(CCCNC(=O)C(C)(C)CCl)c1ccccc1
InChIInChI=1S/C16H25ClN2O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-15(20)16(2,3)13-17/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,18,20)
InChIKeySBDQPJCCGXABRX-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
3-(N-ethylanilino)propylurea
CID 112708177
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
4-(N-ethylanilino)butanoic acid
CID 11390560
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
2-(4-chlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]acetamide
CID 24654937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide (CID 63679963) is 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide is CCN(CCCNC(=O)C(C)(C)CCl)c1ccccc1.
What is the InChIKey of 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide?
The InChIKey is SBDQPJCCGXABRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-15(20)16(2,3)13-17/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,18,20).
What are the key properties of 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide?
3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide has a molecular weight of 296.84 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63679963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).