4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide

C25H26N4O4 — CID 55840868

IUPAC4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N4O4/c1-17(27-23(30)16-26-24(31)19-10-14-22(33-2)15-11-19)18-8-12-21(13-9-18)29-25(32)28-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,30)(H2,28,29,32)
InChIKeyUUNOSIKFVBHONL-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.95
Rot. Bonds8

About 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide

4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide (PubChem CID 55840868) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
PubChem CID55840868
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N4O4/c1-17(27-23(30)16-26-24(31)19-10-14-22(33-2)15-11-19)18-8-12-21(13-9-18)29-25(32)28-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,30)(H2,28,29,32)
InChIKeyUUNOSIKFVBHONL-UHFFFAOYSA-N
XLogP3.95
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24649004
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide (CID 55840868) is 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NC(C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide?
The InChIKey is UUNOSIKFVBHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17(27-23(30)16-26-24(31)19-10-14-22(33-2)15-11-19)18-8-12-21(13-9-18)29-25(32)28-20-6-4-3-5-7-20/h3-15,17H,16H2,1-2H3,(H,26,31)(H,27,30)(H2,28,29,32).
What are the key properties of 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide?
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide is sourced from PubChem (CID 55840868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).