N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide

C23H27NO — CID 42697729

IUPACN-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C23H27NO/c1-19(16-20-10-4-2-5-11-20)17-24(18-21-12-6-3-7-13-21)23(25)22-14-8-9-15-22/h2-7,10-13,16,22H,8-9,14-15,17-18H2,1H3/b19-16+
InChIKeySHAJINNMQJLHHU-KNTRCKAVSA-N
MW333.48 g/mol
LogP5.31
Rot. Bonds6

About N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide

N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide (PubChem CID 42697729) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
PubChem CID42697729
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C23H27NO/c1-19(16-20-10-4-2-5-11-20)17-24(18-21-12-6-3-7-13-21)23(25)22-14-8-9-15-22/h2-7,10-13,16,22H,8-9,14-15,17-18H2,1H3/b19-16+
InChIKeySHAJINNMQJLHHU-KNTRCKAVSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
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N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697725
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzylcyclopentanecarbohydrazide
CID 141018237
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
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N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide (CID 42697729) is N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide is C/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)C1CCCC1.
What is the InChIKey of N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide?
The InChIKey is SHAJINNMQJLHHU-KNTRCKAVSA-N. The full InChI is InChI=1S/C23H27NO/c1-19(16-20-10-4-2-5-11-20)17-24(18-21-12-6-3-7-13-21)23(25)22-14-8-9-15-22/h2-7,10-13,16,22H,8-9,14-15,17-18H2,1H3/b19-16+.
What are the key properties of N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide?
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide has a molecular weight of 333.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide is sourced from PubChem (CID 42697729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).