3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde

C20H25NO3 — CID 159762229

IUPAC3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
SMILESC=O.CCOc1cccc(C(=O)NC(C)[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H23NO2.CH2O/c1-4-22-18-12-8-11-17(13-18)19(21)20-15(3)14(2)16-9-6-5-7-10-16;1-2/h5-15H,4H2,1-3H3,(H,20,21);1H2/t14-,15?;/m0./s1
InChIKeyNFASBELDUYTYGP-QDVCFFRGSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds6

About 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde

3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde (PubChem CID 159762229) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde.

Molecular Properties

Compound Name3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
PubChem CID159762229
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
SMILESC=O.CCOc1cccc(C(=O)NC(C)[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H23NO2.CH2O/c1-4-22-18-12-8-11-17(13-18)19(21)20-15(3)14(2)16-9-6-5-7-10-16;1-2/h5-15H,4H2,1-3H3,(H,20,21);1H2/t14-,15?;/m0./s1
InChIKeyNFASBELDUYTYGP-QDVCFFRGSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde?
The IUPAC name of 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde (CID 159762229) is 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde.
What is the SMILES notation for 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde?
The canonical SMILES for 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde is C=O.CCOc1cccc(C(=O)NC(C)[C@H](C)c2ccccc2)c1.
What is the InChIKey of 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde?
The InChIKey is NFASBELDUYTYGP-QDVCFFRGSA-N. The full InChI is InChI=1S/C19H23NO2.CH2O/c1-4-22-18-12-8-11-17(13-18)19(21)20-15(3)14(2)16-9-6-5-7-10-16;1-2/h5-15H,4H2,1-3H3,(H,20,21);1H2/t14-,15?;/m0./s1.
What are the key properties of 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde?
3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde has a molecular weight of 327.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde is sourced from PubChem (CID 159762229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).