4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide

C20H30N4O3 — CID 91837813

IUPAC4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide
SMILESCN1CCCNC(=O)C12CCN(CCCOc1ccc(C(N)=O)cc1)CC2
InChIInChI=1S/C20H30N4O3/c1-23-11-2-10-22-19(26)20(23)8-13-24(14-9-20)12-3-15-27-17-6-4-16(5-7-17)18(21)25/h4-7H,2-3,8-15H2,1H3,(H2,21,25)(H,22,26)
InChIKeyYOCPZSNIXKXWTH-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.84
Rot. Bonds6

About 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide

4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide (PubChem CID 91837813) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide.

Molecular Properties

Compound Name4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide
PubChem CID91837813
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide
SMILESCN1CCCNC(=O)C12CCN(CCCOc1ccc(C(N)=O)cc1)CC2
InChIInChI=1S/C20H30N4O3/c1-23-11-2-10-22-19(26)20(23)8-13-24(14-9-20)12-3-15-27-17-6-4-16(5-7-17)18(21)25/h4-7H,2-3,8-15H2,1H3,(H2,21,25)(H,22,26)
InChIKeyYOCPZSNIXKXWTH-UHFFFAOYSA-N
XLogP0.84
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.84
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

4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-[3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]propoxy]benzamide
CID 124750090
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
formic acid;1-[[4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317056
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
3-[2-(2,5-dimethoxyphenyl)acetyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743458
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
7-methyl-3-(3-prop-2-enoxybenzoyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743339

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide?
The IUPAC name of 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide (CID 91837813) is 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide.
What is the SMILES notation for 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide?
The canonical SMILES for 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide is CN1CCCNC(=O)C12CCN(CCCOc1ccc(C(N)=O)cc1)CC2.
What is the InChIKey of 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide?
The InChIKey is YOCPZSNIXKXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-23-11-2-10-22-19(26)20(23)8-13-24(14-9-20)12-3-15-27-17-6-4-16(5-7-17)18(21)25/h4-7H,2-3,8-15H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide?
4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide has a molecular weight of 374.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)propoxy]benzamide is sourced from PubChem (CID 91837813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).