(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide

C19H30ClNO4 — CID 100739354

IUPAC(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C19H30ClNO4/c1-6-9-25-19(4,13-14(2)3)18(22)21-15-7-8-17(16(20)12-15)24-11-10-23-5/h7-8,12,14H,6,9-11,13H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeyJVXYPIGNEFIMGN-IBGZPJMESA-N
MW371.91 g/mol
LogP4.54
Rot. Bonds11

About (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide

(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100739354) has the molecular formula C19H30ClNO4 and a molecular weight of 371.91 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
PubChem CID100739354
Molecular FormulaC19H30ClNO4
Molecular Weight371.91 g/mol
Exact Mass371.19
IUPAC Name(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C19H30ClNO4/c1-6-9-25-19(4,13-14(2)3)18(22)21-15-7-8-17(16(20)12-15)24-11-10-23-5/h7-8,12,14H,6,9-11,13H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeyJVXYPIGNEFIMGN-IBGZPJMESA-N
XLogP4.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,4-dimethyl-2-propoxypentanamide
CID 133205857
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
(2R)-N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methyl-2-propoxyhexanamide
CID 100742589
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide (CID 100739354) is (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide is CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is JVXYPIGNEFIMGN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30ClNO4/c1-6-9-25-19(4,13-14(2)3)18(22)21-15-7-8-17(16(20)12-15)24-11-10-23-5/h7-8,12,14H,6,9-11,13H2,1-5H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 371.91 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100739354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).