2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide

C18H28N2O2 — CID 111428717

IUPAC2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(O)CCCCCC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-20(13-16-9-5-4-6-10-16)14-17(21)19-15-18(22)11-7-2-3-8-12-18/h4-6,9-10,22H,2-3,7-8,11-15H2,1H3,(H,19,21)
InChIKeyVACSZVINUTVSAA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.32
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide

2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide (PubChem CID 111428717) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
PubChem CID111428717
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(O)CCCCCC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-20(13-16-9-5-4-6-10-16)14-17(21)19-15-18(22)11-7-2-3-8-12-18/h4-6,9-10,22H,2-3,7-8,11-15H2,1H3,(H,19,21)
InChIKeyVACSZVINUTVSAA-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-hydroxycyclopentyl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91835522
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
CID 111427174
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936634
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide (CID 111428717) is 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide is CN(CC(=O)NCC1(O)CCCCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide?
The InChIKey is VACSZVINUTVSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(13-16-9-5-4-6-10-16)14-17(21)19-15-18(22)11-7-2-3-8-12-18/h4-6,9-10,22H,2-3,7-8,11-15H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide?
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide is sourced from PubChem (CID 111428717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).