2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide

C15H21N3O2 — CID 79854273

IUPAC2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
SMILESNC1(CC(=O)NCC(=O)NCc2ccccc2)CCC1
InChIInChI=1S/C15H21N3O2/c16-15(7-4-8-15)9-13(19)18-11-14(20)17-10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,16H2,(H,17,20)(H,18,19)
InChIKeyQPTXAJQWDSBJTL-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.69
Rot. Bonds6

About 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide (PubChem CID 79854273) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
PubChem CID79854273
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
SMILESNC1(CC(=O)NCC(=O)NCc2ccccc2)CCC1
InChIInChI=1S/C15H21N3O2/c16-15(7-4-8-15)9-13(19)18-11-14(20)17-10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,16H2,(H,17,20)(H,18,19)
InChIKeyQPTXAJQWDSBJTL-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]benzoic acid
CID 64678387
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
CID 64549778
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 64679463
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
N-benzyl-2-hydrazinylacetamide
CID 15514349
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide (CID 79854273) is 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide is NC1(CC(=O)NCC(=O)NCc2ccccc2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide?
The InChIKey is QPTXAJQWDSBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(7-4-8-15)9-13(19)18-11-14(20)17-10-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(benzylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 79854273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).