4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide

C17H26N2O2 — CID 114484503

IUPAC4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COCC1(N)CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-13-10-14(16(18)20)6-7-15(13)11-21-12-17(19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-12,19H2,1H3,(H2,18,20)
InChIKeyUITONHPWTMLLTD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds5

About 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide

4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide (PubChem CID 114484503) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
PubChem CID114484503
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COCC1(N)CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-13-10-14(16(18)20)6-7-15(13)11-21-12-17(19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-12,19H2,1H3,(H2,18,20)
InChIKeyUITONHPWTMLLTD-UHFFFAOYSA-N
XLogP2.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocycloheptyl)methoxymethyl]-3-chlorobenzamide
CID 102668869
3-[(1-aminocyclohexyl)methoxymethyl]-4-fluorobenzamide
CID 64573984
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486
1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
CID 105372272
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
1-[(3-methyl-1,2-oxazol-5-yl)methoxymethyl]cycloheptan-1-amine
CID 64549358
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
6-[(1-aminocyclohexyl)methoxy]pyridine-3-carboxamide
CID 64574041
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide (CID 114484503) is 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COCC1(N)CCCCCC1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide?
The InChIKey is UITONHPWTMLLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-10-14(16(18)20)6-7-15(13)11-21-12-17(19)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-12,19H2,1H3,(H2,18,20).
What are the key properties of 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide?
4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocycloheptyl)methoxymethyl]-3-methylbenzamide is sourced from PubChem (CID 114484503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).