(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide

C22H31NO3 — CID 100764450

IUPAC(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12
InChIInChI=1S/C22H31NO3/c1-6-15-25-22(5,8-3)21(24)23-19-13-14-20(26-16(4)7-2)18-12-10-9-11-17(18)19/h9-14,16H,6-8,15H2,1-5H3,(H,23,24)/t16-,22-/m0/s1
InChIKeyDINRTEOZBCACOX-AOMKIAJQSA-N
MW357.49 g/mol
LogP5.55
Rot. Bonds9

About (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide

(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide (PubChem CID 100764450) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
PubChem CID100764450
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12
InChIInChI=1S/C22H31NO3/c1-6-15-25-22(5,8-3)21(24)23-19-13-14-20(26-16(4)7-2)18-12-10-9-11-17(18)19/h9-14,16H,6-8,15H2,1-5H3,(H,23,24)/t16-,22-/m0/s1
InChIKeyDINRTEOZBCACOX-AOMKIAJQSA-N
XLogP5.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
2-methoxy-2-methyl-N-(4-propoxynaphthalen-1-yl)butanamide
CID 133229716
(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide?
The IUPAC name of (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide (CID 100764450) is (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide.
What is the SMILES notation for (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide?
The canonical SMILES for (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12.
What is the InChIKey of (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide?
The InChIKey is DINRTEOZBCACOX-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H31NO3/c1-6-15-25-22(5,8-3)21(24)23-19-13-14-20(26-16(4)7-2)18-12-10-9-11-17(18)19/h9-14,16H,6-8,15H2,1-5H3,(H,23,24)/t16-,22-/m0/s1.
What are the key properties of (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide?
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide has a molecular weight of 357.49 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 100764450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).