2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide

C16H21N3O3 — CID 163718152

IUPAC2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCC1CN(C=O)c2ccc3c(c21)CCO3
InChIInChI=1S/C16H21N3O3/c1-10(17)16(21)18-6-4-11-8-19(9-20)13-2-3-14-12(15(11)13)5-7-22-14/h2-3,9-11H,4-8,17H2,1H3,(H,18,21)
InChIKeyKPDWHGQOAJABOG-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.54
Rot. Bonds5

About 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide

2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide (PubChem CID 163718152) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide
PubChem CID163718152
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide
SMILESCC(N)C(=O)NCCC1CN(C=O)c2ccc3c(c21)CCO3
InChIInChI=1S/C16H21N3O3/c1-10(17)16(21)18-6-4-11-8-19(9-20)13-2-3-14-12(15(11)13)5-7-22-14/h2-3,9-11H,4-8,17H2,1H3,(H,18,21)
InChIKeyKPDWHGQOAJABOG-UHFFFAOYSA-N
XLogP0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11708851
CID 172788716
CID 172788716
(2R)-3-methylbutan-2-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25143058
(2R)-heptan-2-amine;2-[(8R)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25141869
N-(cyanomethyl)-2-hydroxy-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86580764
2-hydroxy-N-prop-2-ynyl-3-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]propanamide
CID 141370420
N-ethyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582867
N-methyl-3-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)propanamide
CID 86582866
N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 11562621
(1S)-1-(3,4-dimethoxyphenyl)ethanamine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25142916
5-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)pentanamide
CID 68574218
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide (CID 163718152) is 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide is CC(N)C(=O)NCCC1CN(C=O)c2ccc3c(c21)CCO3.
What is the InChIKey of 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide?
The InChIKey is KPDWHGQOAJABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(17)16(21)18-6-4-11-8-19(9-20)13-2-3-14-12(15(11)13)5-7-22-14/h2-3,9-11H,4-8,17H2,1H3,(H,18,21).
What are the key properties of 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide?
2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide has a molecular weight of 303.36 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6-formyl-1,2,7,8-tetrahydrofuro[3,2-e]indol-8-yl)ethyl]propanamide is sourced from PubChem (CID 163718152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).