N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C21H32N4O2 — CID 146394896

IUPACN-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC1c2cccc(C)c2NC1C(=O)NC1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C21H32N4O2/c1-3-16-17-6-4-5-13(2)19(17)25-20(16)21(27)24-15-9-7-14(8-10-15)23-18(26)11-12-22/h4-6,14-16,20,25H,3,7-12,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFSSGWCJUFXXIFK-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.18
Rot. Bonds6

About N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394896) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394896
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC1c2cccc(C)c2NC1C(=O)NC1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C21H32N4O2/c1-3-16-17-6-4-5-13(2)19(17)25-20(16)21(27)24-15-9-7-14(8-10-15)23-18(26)11-12-22/h4-6,14-16,20,25H,3,7-12,22H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFSSGWCJUFXXIFK-UHFFFAOYSA-N
XLogP2.18
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-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-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395012
N-(4-aminocyclohexyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119478904
3-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 43417399
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
7-methyl-N-[4-[(2-piperidin-3-ylacetyl)amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644503
3-amino-N-[4-[2-(3-methyl-1,2-thiazol-4-yl)-2-oxoethyl]cyclohexyl]propanamide
CID 159912265
N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380527
N-[4-(3-aminopropanoylamino)cyclohexyl]-2-oxo-1,3-dihydroindene-4-carboxamide
CID 158097257

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394896) is N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is CCC1c2cccc(C)c2NC1C(=O)NC1CCC(NC(=O)CCN)CC1.
What is the InChIKey of N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FSSGWCJUFXXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-16-17-6-4-5-13(2)19(17)25-20(16)21(27)24-15-9-7-14(8-10-15)23-18(26)11-12-22/h4-6,14-16,20,25H,3,7-12,22H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropanoylamino)cyclohexyl]-3-ethyl-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).