2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide

C13H19N3O3 — CID 54871939

IUPAC2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
SMILESCc1ccc(CN(C(=O)CNC(=O)CN)C2CC2)o1
InChIInChI=1S/C13H19N3O3/c1-9-2-5-11(19-9)8-16(10-3-4-10)13(18)7-15-12(17)6-14/h2,5,10H,3-4,6-8,14H2,1H3,(H,15,17)
InChIKeyPTWGBAFEMYZQLM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.15
Rot. Bonds6

About 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide (PubChem CID 54871939) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
PubChem CID54871939
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
SMILESCc1ccc(CN(C(=O)CNC(=O)CN)C2CC2)o1
InChIInChI=1S/C13H19N3O3/c1-9-2-5-11(19-9)8-16(10-3-4-10)13(18)7-15-12(17)6-14/h2,5,10H,3-4,6-8,14H2,1H3,(H,15,17)
InChIKeyPTWGBAFEMYZQLM-UHFFFAOYSA-N
XLogP0.15
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 78898923
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide (CID 54871939) is 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide is Cc1ccc(CN(C(=O)CNC(=O)CN)C2CC2)o1.
What is the InChIKey of 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide?
The InChIKey is PTWGBAFEMYZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-2-5-11(19-9)8-16(10-3-4-10)13(18)7-15-12(17)6-14/h2,5,10H,3-4,6-8,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54871939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).