2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide

C20H30N2O4 — CID 118771394

IUPAC2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
SMILESCOc1ccc(OCCCN)c(C(=O)NC2COC3(CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O4/c1-24-16-6-7-18(25-11-5-10-21)17(12-16)19(23)22-15-13-20(26-14-15)8-3-2-4-9-20/h6-7,12,15H,2-5,8-11,13-14,21H2,1H3,(H,22,23)
InChIKeyOYMZXJBMWKVRLM-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.64
Rot. Bonds7

About 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide

2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide (PubChem CID 118771394) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
PubChem CID118771394
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
SMILESCOc1ccc(OCCCN)c(C(=O)NC2COC3(CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O4/c1-24-16-6-7-18(25-11-5-10-21)17(12-16)19(23)22-15-13-20(26-14-15)8-3-2-4-9-20/h6-7,12,15H,2-5,8-11,13-14,21H2,1H3,(H,22,23)
InChIKeyOYMZXJBMWKVRLM-UHFFFAOYSA-N
XLogP2.64
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.64
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

2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118762504
2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
CID 118783095
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 114758801
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
6-methyl-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
CID 97126258
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The IUPAC name of 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide (CID 118771394) is 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide is COc1ccc(OCCCN)c(C(=O)NC2COC3(CCCCC3)C2)c1.
What is the InChIKey of 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
The InChIKey is OYMZXJBMWKVRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-24-16-6-7-18(25-11-5-10-21)17(12-16)19(23)22-15-13-20(26-14-15)8-3-2-4-9-20/h6-7,12,15H,2-5,8-11,13-14,21H2,1H3,(H,22,23).
What are the key properties of 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide?
2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide has a molecular weight of 362.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-5-methoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide is sourced from PubChem (CID 118771394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).