2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide

C19H29NO3 — CID 119047772

IUPAC2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOC1(CC(=O)NC(C)c2ccc(OCC(C)C)cc2)CCC1
InChIInChI=1S/C19H29NO3/c1-14(2)13-23-17-8-6-16(7-9-17)15(3)20-18(21)12-19(22-4)10-5-11-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21)
InChIKeyRMKLTWPFTXJBCD-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.86
Rot. Bonds8

About 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide

2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide (PubChem CID 119047772) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
PubChem CID119047772
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOC1(CC(=O)NC(C)c2ccc(OCC(C)C)cc2)CCC1
InChIInChI=1S/C19H29NO3/c1-14(2)13-23-17-8-6-16(7-9-17)15(3)20-18(21)12-19(22-4)10-5-11-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21)
InChIKeyRMKLTWPFTXJBCD-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555376
N-[1-(3-aminophenyl)ethyl]-2-(1-methoxycyclobutyl)acetamide
CID 103555377
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
2-(1-aminocyclopentyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81363183
[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
CID 115927986
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
N-(2-amino-1-phenylethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558356
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide (CID 119047772) is 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide is COC1(CC(=O)NC(C)c2ccc(OCC(C)C)cc2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is RMKLTWPFTXJBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)13-23-17-8-6-16(7-9-17)15(3)20-18(21)12-19(22-4)10-5-11-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21).
What are the key properties of 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide?
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 119047772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).