methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate

C22H26N2O4 — CID 109049092

IUPACmethyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-14-24(15-5-2)21(26)17-8-6-16(7-9-17)20(25)23-19-12-10-18(11-13-19)22(27)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyYVYVZEGNZVBQOS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.99
Rot. Bonds8

About methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate

methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109049092) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109049092
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-14-24(15-5-2)21(26)17-8-6-16(7-9-17)20(25)23-19-12-10-18(11-13-19)22(27)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyYVYVZEGNZVBQOS-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 17196210
methyl 3-[[4-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17196582
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
methyl 4-[[4-[3-(dimethylamino)propylcarbamoyl]benzoyl]amino]benzoate
CID 109046051
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
4-benzamido-N-(cyanomethyl)-N-propylbenzamide
CID 52729751

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate (CID 109049092) is methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate is CCCN(CCC)C(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is YVYVZEGNZVBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-14-24(15-5-2)21(26)17-8-6-16(7-9-17)20(25)23-19-12-10-18(11-13-19)22(27)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate?
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 382.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).