[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate

C25H25N3O4 — CID 155545014

IUPAC[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C25H25N3O4/c1-3-28(4-2)25(31)32-22-15-13-18(14-16-22)23(29)27-21-12-8-9-19(17-21)24(30)26-20-10-6-5-7-11-20/h5-17H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyYECXHJUAGKPGPG-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.03
Rot. Bonds7

About [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate

[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate (PubChem CID 155545014) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate
PubChem CID155545014
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C25H25N3O4/c1-3-28(4-2)25(31)32-22-15-13-18(14-16-22)23(29)27-21-12-8-9-19(17-21)24(30)26-20-10-6-5-7-11-20/h5-17H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyYECXHJUAGKPGPG-UHFFFAOYSA-N
XLogP5.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
(4-benzamidophenyl) 3-(2,2-dimethylpropanoylamino)benzoate
CID 35189238

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate (CID 155545014) is [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate?
The InChIKey is YECXHJUAGKPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-3-28(4-2)25(31)32-22-15-13-18(14-16-22)23(29)27-21-12-8-9-19(17-21)24(30)26-20-10-6-5-7-11-20/h5-17H,3-4H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate?
[4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate has a molecular weight of 431.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 155545014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).