N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C17H22N4O2 — CID 171519355

IUPACN-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OC/C(N)=C/N)cc3[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18/h2-3,6-8,21H,4-5,9-10,18-19H2,1H3,(H,20,22)/b12-8-
InChIKeyHDUQEWRCOSDEPS-WQLSENKSSA-N
MW314.39 g/mol
LogP1.72
Rot. Bonds6

About N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171519355) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171519355
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OC/C(N)=C/N)cc3[nH]2)CC1
InChIInChI=1S/C17H22N4O2/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18/h2-3,6-8,21H,4-5,9-10,18-19H2,1H3,(H,20,22)/b12-8-
InChIKeyHDUQEWRCOSDEPS-WQLSENKSSA-N
XLogP1.72
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
CID 171519353
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519707
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519749
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519375
N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518747

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171519355) is N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3ccc(OC/C(N)=C/N)cc3[nH]2)CC1.
What is the InChIKey of N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is HDUQEWRCOSDEPS-WQLSENKSSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(4-5-17)16(22)20-9-13-6-11-2-3-14(7-15(11)21-13)23-10-12(19)8-18/h2-3,6-8,21H,4-5,9-10,18-19H2,1H3,(H,20,22)/b12-8-.
What are the key properties of N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171519355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).