4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide

C23H29NO2 — CID 1120192

IUPAC4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-18(2)16-26-21-12-10-19(11-13-21)22(25)24-17-23(14-6-7-15-23)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3,(H,24,25)
InChIKeyMMLNEPAYZJFITC-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.96
Rot. Bonds7

About 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide

4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide (PubChem CID 1120192) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
PubChem CID1120192
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C23H29NO2/c1-18(2)16-26-21-12-10-19(11-13-21)22(25)24-17-23(14-6-7-15-23)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3,(H,24,25)
InChIKeyMMLNEPAYZJFITC-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 2984168
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide (CID 1120192) is 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide is CC(C)COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide?
The InChIKey is MMLNEPAYZJFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18(2)16-26-21-12-10-19(11-13-21)22(25)24-17-23(14-6-7-15-23)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3,(H,24,25).
What are the key properties of 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide?
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 1120192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).