cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide

C22H26N2O2 — CID 28765338

IUPACcis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
SMILESCC1(C)[C@H](C(=O)Nc2ccccc2)CC[C@@]1(C)C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-21(2)18(19(25)23-16-10-6-4-7-11-16)14-15-22(21,3)20(26)24-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,25)(H,24,26)/t18-,22-/m0/s1
InChIKeyMZRSBIZYDPKVTD-AVRDEDQJSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds4

About cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide

cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide (PubChem CID 28765338) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
PubChem CID28765338
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namecis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
SMILESCC1(C)[C@H](C(=O)Nc2ccccc2)CC[C@@]1(C)C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O2/c1-21(2)18(19(25)23-16-10-6-4-7-11-16)14-15-22(21,3)20(26)24-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,25)(H,24,26)/t18-,22-/m0/s1
InChIKeyMZRSBIZYDPKVTD-AVRDEDQJSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 877611
4-[[(1S,3S)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid
CID 679658
3-[(3-chlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 15468644
(1S)-3-[(3-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 19577220
trans-(1S,3R)-3-[(3-bromophenyl)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 51921818
trans-(1S,3R)-3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 774564
trans-(1S,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6941969
trans-(1S,3R)-3-[(2-hydroxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 764296
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
trans-(1S,3R)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7315021
2-[[(3S)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid
CID 18552509
2-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]benzoic acid
CID 5070067

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide?
The IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide (CID 28765338) is cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide.
What is the SMILES notation for cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide?
The canonical SMILES for cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide is CC1(C)[C@H](C(=O)Nc2ccccc2)CC[C@@]1(C)C(=O)Nc1ccccc1.
What is the InChIKey of cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide?
The InChIKey is MZRSBIZYDPKVTD-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-21(2)18(19(25)23-16-10-6-4-7-11-16)14-15-22(21,3)20(26)24-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,25)(H,24,26)/t18-,22-/m0/s1.
What are the key properties of cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide?
cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 28765338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).