N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide

C25H35NO3 — CID 133205425

IUPACN-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCCCCC1
InChIInChI=1S/C25H35NO3/c1-4-18-28-25(16-10-6-7-11-17-25)24(27)26-22-14-15-23(29-19(3)5-2)21-13-9-8-12-20(21)22/h8-9,12-15,19H,4-7,10-11,16-18H2,1-3H3,(H,26,27)
InChIKeyCWOFENUIICZQSC-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.48
Rot. Bonds8

About N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide

N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide (PubChem CID 133205425) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
PubChem CID133205425
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCCCCC1
InChIInChI=1S/C25H35NO3/c1-4-18-28-25(16-10-6-7-11-17-25)24(27)26-22-14-15-23(29-19(3)5-2)21-13-9-8-12-20(21)22/h8-9,12-15,19H,4-7,10-11,16-18H2,1-3H3,(H,26,27)
InChIKeyCWOFENUIICZQSC-UHFFFAOYSA-N
XLogP6.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
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
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-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100745217
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 133205414
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
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-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide?
The IUPAC name of N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide (CID 133205425) is N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCCCCC1.
What is the InChIKey of N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide?
The InChIKey is CWOFENUIICZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-4-18-28-25(16-10-6-7-11-17-25)24(27)26-22-14-15-23(29-19(3)5-2)21-13-9-8-12-20(21)22/h8-9,12-15,19H,4-7,10-11,16-18H2,1-3H3,(H,26,27).
What are the key properties of N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide?
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide is sourced from PubChem (CID 133205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).