3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide

C28H30N2O4 — CID 2960603

IUPAC3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2)cc1OC
InChIInChI=1S/C28H30N2O4/c1-33-24-15-12-21(18-25(24)34-2)27(32)30-23-13-10-20(11-14-23)26(31)29-19-28(16-6-7-17-28)22-8-4-3-5-9-22/h3-5,8-15,18H,6-7,16-17,19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCFHXXYYZNWOSEP-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.20
Rot. Bonds8

About 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide

3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide (PubChem CID 2960603) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
PubChem CID2960603
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2)cc1OC
InChIInChI=1S/C28H30N2O4/c1-33-24-15-12-21(18-25(24)34-2)27(32)30-23-13-10-20(11-14-23)26(31)29-19-28(16-6-7-17-28)22-8-4-3-5-9-22/h3-5,8-15,18H,6-7,16-17,19H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyCFHXXYYZNWOSEP-UHFFFAOYSA-N
XLogP5.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(aminomethyl)cyclopentyl]phenyl]-3,4-dimethoxybenzamide
CID 67545488
N-[[1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]cyclopentyl]methyl]-1H-indazole-3-carboxamide
CID 67545489
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]benzamide
CID 36598328
4-[[4-(2-methylpropoxy)benzoyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 2984168
2-(5-acetyl-2-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128277
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide (CID 2960603) is 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide?
The InChIKey is CFHXXYYZNWOSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-24-15-12-21(18-25(24)34-2)27(32)30-23-13-10-20(11-14-23)26(31)29-19-28(16-6-7-17-28)22-8-4-3-5-9-22/h3-5,8-15,18H,6-7,16-17,19H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide?
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 2960603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).