N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide

C18H27NO3 — CID 100729496

IUPACN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCC1
InChIInChI=1S/C18H27NO3/c1-4-14(3)22-16-10-8-15(9-11-16)19-17(20)18(21-5-2)12-6-7-13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyAXLCDUSZTIPIAI-CQSZACIVSA-N
MW305.42 g/mol
LogP4.15
Rot. Bonds7

About N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide

N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide (PubChem CID 100729496) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
PubChem CID100729496
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCC1
InChIInChI=1S/C18H27NO3/c1-4-14(3)22-16-10-8-15(9-11-16)19-17(20)18(21-5-2)12-6-7-13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyAXLCDUSZTIPIAI-CQSZACIVSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734045
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100730131
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731598
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide (CID 100729496) is N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide is CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCC1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide?
The InChIKey is AXLCDUSZTIPIAI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-14(3)22-16-10-8-15(9-11-16)19-17(20)18(21-5-2)12-6-7-13-18/h8-11,14H,4-7,12-13H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide?
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100729496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).