(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

C25H29NO4 — CID 94019866

IUPAC(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C25H29NO4/c1-5-21(30-22-12-8-10-19-9-6-7-11-20(19)22)25(27)26-16-18-13-14-23(29-17(2)3)24(15-18)28-4/h6-15,17,21H,5,16H2,1-4H3,(H,26,27)/t21-/m0/s1
InChIKeyCFHPEAOGVDBBGK-NRFANRHFSA-N
MW407.51 g/mol
LogP5.11
Rot. Bonds9

About (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 94019866) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
PubChem CID94019866
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C25H29NO4/c1-5-21(30-22-12-8-10-19-9-6-7-11-20(19)22)25(27)26-16-18-13-14-23(29-17(2)3)24(15-18)28-4/h6-15,17,21H,5,16H2,1-4H3,(H,26,27)/t21-/m0/s1
InChIKeyCFHPEAOGVDBBGK-NRFANRHFSA-N
XLogP5.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (CID 94019866) is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is CFHPEAOGVDBBGK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H29NO4/c1-5-21(30-22-12-8-10-19-9-6-7-11-20(19)22)25(27)26-16-18-13-14-23(29-17(2)3)24(15-18)28-4/h6-15,17,21H,5,16H2,1-4H3,(H,26,27)/t21-/m0/s1.
What are the key properties of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 407.51 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 94019866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).