4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide

C23H21N3O4 — CID 56548245

IUPAC4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(Cc3ccccc3)C(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)23(29)26-20(22(25)28)14-15-4-2-1-3-5-15/h1-13,20H,14H2,(H2,24,27)(H2,25,28)(H,26,29)
InChIKeyOQKNIXRHBJXZFD-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.40
Rot. Bonds8

About 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide

4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide (PubChem CID 56548245) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
PubChem CID56548245
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(Cc3ccccc3)C(N)=O)cc2)cc1
InChIInChI=1S/C23H21N3O4/c24-21(27)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)23(29)26-20(22(25)28)14-15-4-2-1-3-5-15/h1-13,20H,14H2,(H2,24,27)(H2,25,28)(H,26,29)
InChIKeyOQKNIXRHBJXZFD-UHFFFAOYSA-N
XLogP2.40
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065478
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide (CID 56548245) is 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC(Cc3ccccc3)C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide?
The InChIKey is OQKNIXRHBJXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c24-21(27)16-6-10-18(11-7-16)30-19-12-8-17(9-13-19)23(29)26-20(22(25)28)14-15-4-2-1-3-5-15/h1-13,20H,14H2,(H2,24,27)(H2,25,28)(H,26,29).
What are the key properties of 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide?
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).