(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide

C23H31NO4 — CID 142673511

IUPAC(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
SMILESCOc1cc(CCNC(=O)[C@H](CCc2ccccc2)OC)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-17(2)28-20-12-11-19(16-22(20)27-4)14-15-24-23(25)21(26-3)13-10-18-8-6-5-7-9-18/h5-9,11-12,16-17,21H,10,13-15H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyHAOVBFGUTARSKT-NRFANRHFSA-N
MW385.50 g/mol
LogP3.79
Rot. Bonds11

About (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide

(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide (PubChem CID 142673511) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
PubChem CID142673511
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
SMILESCOc1cc(CCNC(=O)[C@H](CCc2ccccc2)OC)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-17(2)28-20-12-11-19(16-22(20)27-4)14-15-24-23(25)21(26-3)13-10-18-8-6-5-7-9-18/h5-9,11-12,16-17,21H,10,13-15H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyHAOVBFGUTARSKT-NRFANRHFSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
(2R)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673497
(2S)-2-methoxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-4-phenylbutanamide
CID 87258743
4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
CID 142673515
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenylpropanethioamide
CID 142673424
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673411
(2R)-2-ethoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-phenoxypropanamide
CID 142673517
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
(2S)-3-(4-fluorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673508
3-(3,4-dichlorophenoxy)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673450
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide (CID 142673511) is (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide is COc1cc(CCNC(=O)[C@H](CCc2ccccc2)OC)ccc1OC(C)C.
What is the InChIKey of (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide?
The InChIKey is HAOVBFGUTARSKT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31NO4/c1-17(2)28-20-12-11-19(16-22(20)27-4)14-15-24-23(25)21(26-3)13-10-18-8-6-5-7-9-18/h5-9,11-12,16-17,21H,10,13-15H2,1-4H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide?
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide has a molecular weight of 385.50 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 142673511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).