N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide

C25H29NO4 — CID 156904452

IUPACN-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)C2CCC(OCCO)C2)cc1
InChIInChI=1S/C25H29NO4/c1-16-2-3-20(25(29)26-21-9-10-21)15-23(16)17-4-6-18(7-5-17)24(28)19-8-11-22(14-19)30-13-12-27/h2-7,15,19,21-22,27H,8-14H2,1H3,(H,26,29)
InChIKeySEYIMDBLSWOHEU-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.91
Rot. Bonds8

About N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide (PubChem CID 156904452) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide
PubChem CID156904452
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC NameN-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)C2CCC(OCCO)C2)cc1
InChIInChI=1S/C25H29NO4/c1-16-2-3-20(25(29)26-21-9-10-21)15-23(16)17-4-6-18(7-5-17)24(28)19-8-11-22(14-19)30-13-12-27/h2-7,15,19,21-22,27H,8-14H2,1H3,(H,26,29)
InChIKeySEYIMDBLSWOHEU-UHFFFAOYSA-N
XLogP3.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 91394925
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide (CID 156904452) is N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)C2CCC(OCCO)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide?
The InChIKey is SEYIMDBLSWOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-16-2-3-20(25(29)26-21-9-10-21)15-23(16)17-4-6-18(7-5-17)24(28)19-8-11-22(14-19)30-13-12-27/h2-7,15,19,21-22,27H,8-14H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 156904452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).