3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide

C22H27NO4 — CID 52522411

IUPAC3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1OC(C)C
InChIInChI=1S/C22H27NO4/c1-15(2)27-18-12-11-17(14-20(18)25-3)22(24)23-21(19-10-7-13-26-19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19,21H,7,10,13H2,1-3H3,(H,23,24)/t19-,21+/m0/s1
InChIKeyOSCHJUPTGACWMN-PZJWPPBQSA-N
MW369.46 g/mol
LogP4.13
Rot. Bonds7

About 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide (PubChem CID 52522411) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide
PubChem CID52522411
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1OC(C)C
InChIInChI=1S/C22H27NO4/c1-15(2)27-18-12-11-17(14-20(18)25-3)22(24)23-21(19-10-7-13-26-19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19,21H,7,10,13H2,1-3H3,(H,23,24)/t19-,21+/m0/s1
InChIKeyOSCHJUPTGACWMN-PZJWPPBQSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 71847725
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide (CID 52522411) is 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide?
The InChIKey is OSCHJUPTGACWMN-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15(2)27-18-12-11-17(14-20(18)25-3)22(24)23-21(19-10-7-13-26-19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15,19,21H,7,10,13H2,1-3H3,(H,23,24)/t19-,21+/m0/s1.
What are the key properties of 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide has a molecular weight of 369.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 52522411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).