(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide

C16H24ClNO3 — CID 100696673

IUPAC(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C16H24ClNO3/c1-6-21-14-8-7-12(9-13(14)17)18-15(19)16(4,20-5)10-11(2)3/h7-9,11H,6,10H2,1-5H3,(H,18,19)/t16-/m0/s1
InChIKeyWTLPPPGIQBCDED-INIZCTEOSA-N
MW313.83 g/mol
LogP4.13
Rot. Bonds7

About (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide

(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (PubChem CID 100696673) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
PubChem CID100696673
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl
InChIInChI=1S/C16H24ClNO3/c1-6-21-14-8-7-12(9-13(14)17)18-15(19)16(4,20-5)10-11(2)3/h7-9,11H,6,10H2,1-5H3,(H,18,19)/t16-/m0/s1
InChIKeyWTLPPPGIQBCDED-INIZCTEOSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699464
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245895
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide (CID 100696673) is (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide is CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is WTLPPPGIQBCDED-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-6-21-14-8-7-12(9-13(14)17)18-15(19)16(4,20-5)10-11(2)3/h7-9,11H,6,10H2,1-5H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide?
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 313.83 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).