N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide

C25H26N2O3 — CID 25483291

IUPACN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-19(12-13-20-8-4-2-5-9-20)27-24(28)18-26-25(29)21-14-16-23(17-15-21)30-22-10-6-3-7-11-22/h2-11,14-17,19H,12-13,18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyBPPYFUCVEILCCC-IBGZPJMESA-N
MW402.49 g/mol
LogP4.35
Rot. Bonds9

About N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide

N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide (PubChem CID 25483291) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
PubChem CID25483291
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c1-19(12-13-20-8-4-2-5-9-20)27-24(28)18-26-25(29)21-14-16-23(17-15-21)30-22-10-6-3-7-11-22/h2-11,14-17,19H,12-13,18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyBPPYFUCVEILCCC-IBGZPJMESA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 8008838
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide (CID 25483291) is N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide is C[C@@H](CCc1ccccc1)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide?
The InChIKey is BPPYFUCVEILCCC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N2O3/c1-19(12-13-20-8-4-2-5-9-20)27-24(28)18-26-25(29)21-14-16-23(17-15-21)30-22-10-6-3-7-11-22/h2-11,14-17,19H,12-13,18H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide?
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 25483291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).