2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide

C17H26N2O2 — CID 64549778

IUPAC2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
SMILESNC1(COCC(=O)NCc2ccccc2)CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-17(10-6-1-2-7-11-17)14-21-13-16(20)19-12-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,18H2,(H,19,20)
InChIKeyMDPMDLBELBEHPK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds6

About 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide

2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide (PubChem CID 64549778) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
PubChem CID64549778
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
SMILESNC1(COCC(=O)NCc2ccccc2)CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-17(10-6-1-2-7-11-17)14-21-13-16(20)19-12-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,18H2,(H,19,20)
InChIKeyMDPMDLBELBEHPK-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
CID 64549156
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
2-(2-amino-2-methylpropoxy)-N-benzylacetamide
CID 64537589
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
2-[(1-aminocyclohexyl)methoxy]-N-(3-methoxypropyl)acetamide
CID 64572066
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide (CID 64549778) is 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide is NC1(COCC(=O)NCc2ccccc2)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide?
The InChIKey is MDPMDLBELBEHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-17(10-6-1-2-7-11-17)14-21-13-16(20)19-12-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,18H2,(H,19,20).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide?
2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide is sourced from PubChem (CID 64549778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).