N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide

C19H22N2O4 — CID 17473181

IUPACN-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
SMILESCOCC(C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(13-24-2)21-18(22)12-20-19(23)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBSHXGEDOQQGVEE-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide

N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 17473181) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
PubChem CID17473181
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
SMILESCOCC(C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4/c1-14(13-24-2)21-18(22)12-20-19(23)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBSHXGEDOQQGVEE-UHFFFAOYSA-N
XLogP2.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 8008838
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
dimethyl-[(2S)-2-[[2-[(4-phenoxybenzoyl)amino]acetyl]amino]-2-phenylethyl]azanium
CID 8936485
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
1-[(2S)-1-methoxypropan-2-yl]-3-[(3-phenoxybenzoyl)amino]thiourea
CID 9478376
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
N-[(2R)-1-methoxypropan-2-yl]-2-phenoxybenzamide
CID 884755
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide (CID 17473181) is N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide is COCC(C)NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is BSHXGEDOQQGVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(13-24-2)21-18(22)12-20-19(23)15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide?
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 17473181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).