N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide

C22H26N4O3 — CID 55804667

IUPACN-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-23-20(27)17-8-10-19(11-9-17)25-22(29)24-15-16-6-5-7-18(14-16)21(28)26-12-3-4-13-26/h5-11,14H,2-4,12-13,15H2,1H3,(H,23,27)(H2,24,25,29)
InChIKeyBUZNBQJARJGYQZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide

N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide (PubChem CID 55804667) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
PubChem CID55804667
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-23-20(27)17-8-10-19(11-9-17)25-22(29)24-15-16-6-5-7-18(14-16)21(28)26-12-3-4-13-26/h5-11,14H,2-4,12-13,15H2,1H3,(H,23,27)(H2,24,25,29)
InChIKeyBUZNBQJARJGYQZ-UHFFFAOYSA-N
XLogP2.99
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55701806
1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55747688
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55836314
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55701972
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide?
The IUPAC name of N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide (CID 55804667) is N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide?
The InChIKey is BUZNBQJARJGYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-23-20(27)17-8-10-19(11-9-17)25-22(29)24-15-16-6-5-7-18(14-16)21(28)26-12-3-4-13-26/h5-11,14H,2-4,12-13,15H2,1H3,(H,23,27)(H2,24,25,29).
What are the key properties of N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide?
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 55804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).