N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide

C23H22N4O4 — CID 55993506

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O4/c24-23(30)25-14-16-9-11-17(12-10-16)22(29)27-19-7-4-8-20(13-19)31-15-21(28)26-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30)
InChIKeyKBPKTPFGODSYER-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.12
Rot. Bonds8

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide (PubChem CID 55993506) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
PubChem CID55993506
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O4/c24-23(30)25-14-16-9-11-17(12-10-16)22(29)27-19-7-4-8-20(13-19)31-15-21(28)26-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30)
InChIKeyKBPKTPFGODSYER-UHFFFAOYSA-N
XLogP3.12
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
4-[(carbamoylamino)methyl]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56584450
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide (CID 55993506) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
The InChIKey is KBPKTPFGODSYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c24-23(30)25-14-16-9-11-17(12-10-16)22(29)27-19-7-4-8-20(13-19)31-15-21(28)26-18-5-2-1-3-6-18/h1-13H,14-15H2,(H,26,28)(H,27,29)(H3,24,25,30).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide has a molecular weight of 418.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide is sourced from PubChem (CID 55993506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).