(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide

C22H34N2O2 — CID 58534691

IUPAC(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide
SMILESCC(C)OC(C(=O)NC1CCc2ccccc21)[C@H](N)CC1CCCCC1
InChIInChI=1S/C22H34N2O2/c1-15(2)26-21(19(23)14-16-8-4-3-5-9-16)22(25)24-20-13-12-17-10-6-7-11-18(17)20/h6-7,10-11,15-16,19-21H,3-5,8-9,12-14,23H2,1-2H3,(H,24,25)/t19-,20?,21?/m1/s1
InChIKeySYDVCYRFBLMZSC-QNGMFEMESA-N
MW358.53 g/mol
LogP3.88
Rot. Bonds7

About (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide

(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide (PubChem CID 58534691) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide
PubChem CID58534691
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide
SMILESCC(C)OC(C(=O)NC1CCc2ccccc21)[C@H](N)CC1CCCCC1
InChIInChI=1S/C22H34N2O2/c1-15(2)26-21(19(23)14-16-8-4-3-5-9-16)22(25)24-20-13-12-17-10-6-7-11-18(17)20/h6-7,10-11,15-16,19-21H,3-5,8-9,12-14,23H2,1-2H3,(H,24,25)/t19-,20?,21?/m1/s1
InChIKeySYDVCYRFBLMZSC-QNGMFEMESA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide 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

(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide (CID 58534691) is (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide is CC(C)OC(C(=O)NC1CCc2ccccc21)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide?
The InChIKey is SYDVCYRFBLMZSC-QNGMFEMESA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)26-21(19(23)14-16-8-4-3-5-9-16)22(25)24-20-13-12-17-10-6-7-11-18(17)20/h6-7,10-11,15-16,19-21H,3-5,8-9,12-14,23H2,1-2H3,(H,24,25)/t19-,20?,21?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide has a molecular weight of 358.53 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxybutanamide is sourced from PubChem (CID 58534691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).