2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide

C27H36N4O2 — CID 4053648

IUPAC2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCCCN1CCC(N(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C2CC2)CC1
InChIInChI=1S/C27H36N4O2/c1-2-18-30-19-15-23(16-20-30)31(22-12-13-22)27(33)29-25-11-7-6-10-24(25)26(32)28-17-14-21-8-4-3-5-9-21/h3-11,22-23H,2,12-20H2,1H3,(H,28,32)(H,29,33)
InChIKeyZDSZTTFYLOCKBV-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.53
Rot. Bonds9

About 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide

2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 4053648) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID4053648
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCCCN1CCC(N(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C2CC2)CC1
InChIInChI=1S/C27H36N4O2/c1-2-18-30-19-15-23(16-20-30)31(22-12-13-22)27(33)29-25-11-7-6-10-24(25)26(32)28-17-14-21-8-4-3-5-9-21/h3-11,22-23H,2,12-20H2,1H3,(H,28,32)(H,29,33)
InChIKeyZDSZTTFYLOCKBV-UHFFFAOYSA-N
XLogP4.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 3706139
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
(1S,6S)-6-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1236317
2-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 43923542
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
5-methylsulfonyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 43923555
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
4-oxo-4-[2-(2-phenylethylcarbamoyl)anilino]but-2-enoic acid
CID 4929672
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide (CID 4053648) is 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide is CCCN1CCC(N(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C2CC2)CC1.
What is the InChIKey of 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is ZDSZTTFYLOCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-2-18-30-19-15-23(16-20-30)31(22-12-13-22)27(33)29-25-11-7-6-10-24(25)26(32)28-17-14-21-8-4-3-5-9-21/h3-11,22-23H,2,12-20H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide?
2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 448.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(1-propylpiperidin-4-yl)carbamoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4053648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).