N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide

C17H26N2O2 — CID 166201965

IUPACN-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC2(N)CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-21-12-14-6-8-15(9-7-14)16(20)19-13-17(18)10-4-2-3-5-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyHDGUZCYAYWOOSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.61
Rot. Bonds5

About N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide

N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide (PubChem CID 166201965) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
PubChem CID166201965
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC2(N)CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-21-12-14-6-8-15(9-7-14)16(20)19-13-17(18)10-4-2-3-5-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyHDGUZCYAYWOOSD-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119404702
N-[(1-aminocyclohexyl)methyl]-4-nitrobenzamide;hydrochloride
CID 119404019
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
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N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide (CID 166201965) is N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCC2(N)CCCCCC2)cc1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide?
The InChIKey is HDGUZCYAYWOOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-12-14-6-8-15(9-7-14)16(20)19-13-17(18)10-4-2-3-5-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20).
What are the key properties of N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide?
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 166201965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).