N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide

C17H25NO3 — CID 97006278

IUPACN-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@H]1CCCCC[C@H]1OC
InChIInChI=1S/C17H25NO3/c1-20-12-13-8-6-7-9-14(13)17(19)18-15-10-4-3-5-11-16(15)21-2/h6-9,15-16H,3-5,10-12H2,1-2H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyJSHLJBLSFICWOV-JKSUJKDBSA-N
MW291.39 g/mol
LogP2.91
Rot. Bonds5

About N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide

N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide (PubChem CID 97006278) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
PubChem CID97006278
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@H]1CCCCC[C@H]1OC
InChIInChI=1S/C17H25NO3/c1-20-12-13-8-6-7-9-14(13)17(19)18-15-10-4-3-5-11-16(15)21-2/h6-9,15-16H,3-5,10-12H2,1-2H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyJSHLJBLSFICWOV-JKSUJKDBSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
2,3-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 114344265
1-hydroxy-N-(2-methoxycyclopentyl)naphthalene-2-carboxamide
CID 62086836
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 55069206
N-[2-[(2-cyclopentylacetyl)amino]ethyl]-2-(methoxymethyl)benzamide
CID 52844192
4-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087188
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N,2-bis(methoxymethyl)benzamide
CID 91153220

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide (CID 97006278) is N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)N[C@H]1CCCCC[C@H]1OC.
What is the InChIKey of N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide?
The InChIKey is JSHLJBLSFICWOV-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-12-13-8-6-7-9-14(13)17(19)18-15-10-4-3-5-11-16(15)21-2/h6-9,15-16H,3-5,10-12H2,1-2H3,(H,18,19)/t15-,16+/m0/s1.
What are the key properties of N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide?
N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methoxycycloheptyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 97006278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).