N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide

C17H26N2O2 — CID 60971311

IUPACN-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESO=C(CNCC1(O)CCCCCC1)NCc1ccccc1
InChIInChI=1S/C17H26N2O2/c20-16(19-12-15-8-4-3-5-9-15)13-18-14-17(21)10-6-1-2-7-11-17/h3-5,8-9,18,21H,1-2,6-7,10-14H2,(H,19,20)
InChIKeyIIABTWIVGLBKDV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.98
Rot. Bonds6

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

N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide (PubChem CID 60971311) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
PubChem CID60971311
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESO=C(CNCC1(O)CCCCCC1)NCc1ccccc1
InChIInChI=1S/C17H26N2O2/c20-16(19-12-15-8-4-3-5-9-15)13-18-14-17(21)10-6-1-2-7-11-17/h3-5,8-9,18,21H,1-2,6-7,10-14H2,(H,19,20)
InChIKeyIIABTWIVGLBKDV-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
CID 65495607
N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
CID 114756431
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60909353
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide (CID 60971311) is N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide is O=C(CNCC1(O)CCCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The InChIKey is IIABTWIVGLBKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16(19-12-15-8-4-3-5-9-15)13-18-14-17(21)10-6-1-2-7-11-17/h3-5,8-9,18,21H,1-2,6-7,10-14H2,(H,19,20).
What are the key properties of N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide is sourced from PubChem (CID 60971311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).