N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C20H36N4O2 — CID 167380527

IUPACN-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(C)C2NC(C(=O)NC3CCC(NC(=O)CCN)CC3)CC12
InChIInChI=1S/C20H36N4O2/c1-12-3-4-13(2)19-16(12)11-17(24-19)20(26)23-15-7-5-14(6-8-15)22-18(25)9-10-21/h12-17,19,24H,3-11,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCKTNFUFIIQJEIZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.29
Rot. Bonds5

About N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167380527) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167380527
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(C)C2NC(C(=O)NC3CCC(NC(=O)CCN)CC3)CC12
InChIInChI=1S/C20H36N4O2/c1-12-3-4-13(2)19-16(12)11-17(24-19)20(26)23-15-7-5-14(6-8-15)22-18(25)9-10-21/h12-17,19,24H,3-11,21H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCKTNFUFIIQJEIZ-UHFFFAOYSA-N
XLogP1.29
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-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
4-fluoro-7-methyl-N-[(1S,3S)-3-piperidin-4-ylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 152933667
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
N-[3-(5-amino-1,2,4-triazolidin-3-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147183732
N,N'-dicyclopropylbutanediamide
CID 5225156
N-[3-(5-amino-1,3,4-oxadiazolidin-2-yl)cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 147862736
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
4-fluoro-N-[3-[4-(2-fluoroacetyl)piperazin-1-yl]cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380577
4-fluoro-N-[3-[5-(hydroxymethyl)-1,3,4-thiadiazolidin-2-yl]cyclohexyl]-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380415
3-amino-N-[4-[2-(4-aminocyclohexyl)-2-oxoethyl]cyclohexyl]propanamide
CID 146787707
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
4-fluoro-7-methyl-N-[3-(1,3,4-oxadiazolidin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167380578

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167380527) is N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(C)C2NC(C(=O)NC3CCC(NC(=O)CCN)CC3)CC12.
What is the InChIKey of N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is CKTNFUFIIQJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-12-3-4-13(2)19-16(12)11-17(24-19)20(26)23-15-7-5-14(6-8-15)22-18(25)9-10-21/h12-17,19,24H,3-11,21H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[4-(3-aminopropanoylamino)cyclohexyl]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 364.53 g/mol, XLogP of 1.29, 5 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]-4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167380527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).