N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide

C20H31NO3 — CID 100730131

IUPACN-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCC1
InChIInChI=1S/C20H31NO3/c1-6-16(5)24-18-14(3)12-17(13-15(18)4)21-19(22)20(23-7-2)10-8-9-11-20/h12-13,16H,6-11H2,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyZHMNRGYBFUQPMM-INIZCTEOSA-N
MW333.47 g/mol
LogP4.77
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide

N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide (PubChem CID 100730131) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
PubChem CID100730131
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCC1
InChIInChI=1S/C20H31NO3/c1-6-16(5)24-18-14(3)12-17(13-15(18)4)21-19(22)20(23-7-2)10-8-9-11-20/h12-13,16H,6-11H2,1-5H3,(H,21,22)/t16-/m0/s1
InChIKeyZHMNRGYBFUQPMM-INIZCTEOSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731598
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-methoxycyclohexane-1-carboxamide
CID 100704236
trans-(1S,3R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100733660
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100717133
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246436
trans-(1R,3S)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 125061201
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 133188311
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674689
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674701
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673683

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide (CID 100730131) is N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide is CCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCC1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide?
The InChIKey is ZHMNRGYBFUQPMM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31NO3/c1-6-16(5)24-18-14(3)12-17(13-15(18)4)21-19(22)20(23-7-2)10-8-9-11-20/h12-13,16H,6-11H2,1-5H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide?
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).