N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide

C15H22N2O2 — CID 114756431

IUPACN-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
SMILESO=C(CNCC1(CCO)CC1)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-9-8-15(6-7-15)12-16-11-14(19)17-10-13-4-2-1-3-5-13/h1-5,16,18H,6-12H2,(H,17,19)
InChIKeyKZJSMRDBWZCDAD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.05
Rot. Bonds8

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

N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide (PubChem CID 114756431) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
PubChem CID114756431
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
SMILESO=C(CNCC1(CCO)CC1)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-9-8-15(6-7-15)12-16-11-14(19)17-10-13-4-2-1-3-5-13/h1-5,16,18H,6-12H2,(H,17,19)
InChIKeyKZJSMRDBWZCDAD-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
CID 65495607
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 114751357
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 79854273
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide?
The IUPAC name of N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide (CID 114756431) is N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide is O=C(CNCC1(CCO)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide?
The InChIKey is KZJSMRDBWZCDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-9-8-15(6-7-15)12-16-11-14(19)17-10-13-4-2-1-3-5-13/h1-5,16,18H,6-12H2,(H,17,19).
What are the key properties of N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide?
N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide is sourced from PubChem (CID 114756431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).