3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

C21H25N3O — CID 167889310

IUPAC3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)C3CC(N)c4ccccc43)c2C1
InChIInChI=1S/C21H25N3O/c1-2-10-24-12-14-6-5-9-20(18(14)13-24)23-21(25)17-11-19(22)16-8-4-3-7-15(16)17/h3-9,17,19H,2,10-13,22H2,1H3,(H,23,25)
InChIKeyRHPRGPGYWGYWNB-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 167889310) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID167889310
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)C3CC(N)c4ccccc43)c2C1
InChIInChI=1S/C21H25N3O/c1-2-10-24-12-14-6-5-9-20(18(14)13-24)23-21(25)17-11-19(22)16-8-4-3-7-15(16)17/h3-9,17,19H,2,10-13,22H2,1H3,(H,23,25)
InChIKeyRHPRGPGYWGYWNB-UHFFFAOYSA-N
XLogP3.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119109721
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 119872395
(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide
CID 124739506
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
1-(3-amino-2,3-dihydro-1H-inden-1-yl)ethanone
CID 86775772
4-(aminomethyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]benzamide
CID 119872415
N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide
CID 166187376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (CID 167889310) is 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is CCCN1Cc2cccc(NC(=O)C3CC(N)c4ccccc43)c2C1.
What is the InChIKey of 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is RHPRGPGYWGYWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-10-24-12-14-6-5-9-20(18(14)13-24)23-21(25)17-11-19(22)16-8-4-3-7-15(16)17/h3-9,17,19H,2,10-13,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 167889310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).