N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide

C27H30N4O3 — CID 54836161

IUPACN-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-16-28-26(33)21-12-14-23(15-13-21)29-18-25(32)31-24-11-7-10-22(17-24)27(34)30-19(2)20-8-5-4-6-9-20/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,28,33)(H,30,34)(H,31,32)
InChIKeySNNLEABNZQQIJK-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.37
Rot. Bonds10

About N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide

N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide (PubChem CID 54836161) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
PubChem CID54836161
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-3-16-28-26(33)21-12-14-23(15-13-21)29-18-25(32)31-24-11-7-10-22(17-24)27(34)30-19(2)20-8-5-4-6-9-20/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,28,33)(H,30,34)(H,31,32)
InChIKeySNNLEABNZQQIJK-UHFFFAOYSA-N
XLogP4.37
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide (CID 54836161) is N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide is CCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
The InChIKey is SNNLEABNZQQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-16-28-26(33)21-12-14-23(15-13-21)29-18-25(32)31-24-11-7-10-22(17-24)27(34)30-19(2)20-8-5-4-6-9-20/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,28,33)(H,30,34)(H,31,32).
What are the key properties of N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide?
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.37, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54836161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).