N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide

C22H29NO3 — CID 100761838

IUPACN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCC1
InChIInChI=1S/C22H29NO3/c1-4-16(3)26-20-13-12-19(17-10-6-7-11-18(17)20)23-21(24)22(25-5-2)14-8-9-15-22/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyFSYCDSTZRAPYKE-INIZCTEOSA-N
MW355.48 g/mol
LogP5.30
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide (PubChem CID 100761838) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
PubChem CID100761838
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCC1
InChIInChI=1S/C22H29NO3/c1-4-16(3)26-20-13-12-19(17-10-6-7-11-18(17)20)23-21(24)22(25-5-2)14-8-9-15-22/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyFSYCDSTZRAPYKE-INIZCTEOSA-N
XLogP5.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978
cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762964
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100745217
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100762030
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide (CID 100761838) is N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide is CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c3ccccc23)CCCC1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide?
The InChIKey is FSYCDSTZRAPYKE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-16(3)26-20-13-12-19(17-10-6-7-11-18(17)20)23-21(24)22(25-5-2)14-8-9-15-22/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide?
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 5.30, 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]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).