N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide

C20H23NO2 — CID 40746031

IUPACN-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-3-15-23-19-13-11-18(12-14-19)20(22)21-16(2)9-10-17-7-5-4-6-8-17/h3-8,11-14,16H,1,9-10,15H2,2H3,(H,21,22)/t16-/m1/s1
InChIKeyNSLQBFMDCZSINC-MRXNPFEDSA-N
MW309.41 g/mol
LogP4.00
Rot. Bonds8

About N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide

N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide (PubChem CID 40746031) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
PubChem CID40746031
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-3-15-23-19-13-11-18(12-14-19)20(22)21-16(2)9-10-17-7-5-4-6-8-17/h3-8,11-14,16H,1,9-10,15H2,2H3,(H,21,22)/t16-/m1/s1
InChIKeyNSLQBFMDCZSINC-MRXNPFEDSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 18208260
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide (CID 40746031) is N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide?
The InChIKey is NSLQBFMDCZSINC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-15-23-19-13-11-18(12-14-19)20(22)21-16(2)9-10-17-7-5-4-6-8-17/h3-8,11-14,16H,1,9-10,15H2,2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide?
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 40746031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).