3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide

C16H29N3O — CID 82753521

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CN1CCC2CCCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C16H29N3O/c1-2-18-16(15(17)20,13-7-8-13)11-19-10-9-12-5-3-4-6-14(12)19/h12-14,18H,2-11H2,1H3,(H2,17,20)
InChIKeyAWOWRDYHGNLAEM-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.49
Rot. Bonds6

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide (PubChem CID 82753521) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
PubChem CID82753521
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CN1CCC2CCCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C16H29N3O/c1-2-18-16(15(17)20,13-7-8-13)11-19-10-9-12-5-3-4-6-14(12)19/h12-14,18H,2-11H2,1H3,(H2,17,20)
InChIKeyAWOWRDYHGNLAEM-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide 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

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63909188
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 113336080
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-cyclopropylpropanoic acid
CID 82751459
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
CID 82750399
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 63911898
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63909581
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)propanamide
CID 63925013
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,2-dimethylpropanoic acid
CID 82750528
2-cyclopropyl-2-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide
CID 83221428
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 82747461

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide (CID 82753521) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide is CCNC(CN1CCC2CCCCC21)(C(N)=O)C1CC1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide?
The InChIKey is AWOWRDYHGNLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-18-16(15(17)20,13-7-8-13)11-19-10-9-12-5-3-4-6-14(12)19/h12-14,18H,2-11H2,1H3,(H2,17,20).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide has a molecular weight of 279.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide is sourced from PubChem (CID 82753521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).