(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide

C20H32ClNO4 — CID 100739322

IUPAC(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1
InChIInChI=1S/C20H32ClNO4/c1-7-10-25-20(5,12-14(2)3)19(23)22-16-8-9-18(17(21)11-16)26-15(4)13-24-6/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,22,23)/t15-,20-/m1/s1
InChIKeyMKRHAYJURZVDNP-FOIQADDNSA-N
MW385.93 g/mol
LogP4.92
Rot. Bonds11

About (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide

(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100739322) has the molecular formula C20H32ClNO4 and a molecular weight of 385.93 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
PubChem CID100739322
Molecular FormulaC20H32ClNO4
Molecular Weight385.93 g/mol
Exact Mass385.20
IUPAC Name(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1
InChIInChI=1S/C20H32ClNO4/c1-7-10-25-20(5,12-14(2)3)19(23)22-16-8-9-18(17(21)11-16)26-15(4)13-24-6/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,22,23)/t15-,20-/m1/s1
InChIKeyMKRHAYJURZVDNP-FOIQADDNSA-N
XLogP4.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.93
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide with MolForge

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Related Compounds

(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-ethoxy-2-methylbutanamide
CID 100722732
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701055
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701068
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738354
(2R)-N-[4-[(2S)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738347
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide (CID 100739322) is (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide is CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1.
What is the InChIKey of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is MKRHAYJURZVDNP-FOIQADDNSA-N. The full InChI is InChI=1S/C20H32ClNO4/c1-7-10-25-20(5,12-14(2)3)19(23)22-16-8-9-18(17(21)11-16)26-15(4)13-24-6/h8-9,11,14-15H,7,10,12-13H2,1-6H3,(H,22,23)/t15-,20-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 385.93 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100739322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).