3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide

C18H28N2O4 — CID 167806025

IUPAC3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide
SMILESCOc1cc(CCNCCC(N)=O)cc(OC)c1OCC1CCC1
InChIInChI=1S/C18H28N2O4/c1-22-15-10-14(6-8-20-9-7-17(19)21)11-16(23-2)18(15)24-12-13-4-3-5-13/h10-11,13,20H,3-9,12H2,1-2H3,(H2,19,21)
InChIKeyFPESCXFYSLPWMD-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.89
Rot. Bonds11

About 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide

3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide (PubChem CID 167806025) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide
PubChem CID167806025
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide
SMILESCOc1cc(CCNCCC(N)=O)cc(OC)c1OCC1CCC1
InChIInChI=1S/C18H28N2O4/c1-22-15-10-14(6-8-20-9-7-17(19)21)11-16(23-2)18(15)24-12-13-4-3-5-13/h10-11,13,20H,3-9,12H2,1-2H3,(H2,19,21)
InChIKeyFPESCXFYSLPWMD-UHFFFAOYSA-N
XLogP1.89
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea
CID 166301536
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
1-[3-bromo-4-(cyclobutylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 65459301
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide?
The IUPAC name of 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide (CID 167806025) is 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide.
What is the SMILES notation for 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide?
The canonical SMILES for 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide is COc1cc(CCNCCC(N)=O)cc(OC)c1OCC1CCC1.
What is the InChIKey of 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide?
The InChIKey is FPESCXFYSLPWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-22-15-10-14(6-8-20-9-7-17(19)21)11-16(23-2)18(15)24-12-13-4-3-5-13/h10-11,13,20H,3-9,12H2,1-2H3,(H2,19,21).
What are the key properties of 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide?
3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide has a molecular weight of 336.43 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide is sourced from PubChem (CID 167806025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).