(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide

C23H30N2O — CID 10594038

IUPAC(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCCCN(CCC)[C@@H]1CCc2cccc(C(=O)NCc3ccccc3)c21
InChIInChI=1S/C23H30N2O/c1-3-15-25(16-4-2)21-14-13-19-11-8-12-20(22(19)21)23(26)24-17-18-9-6-5-7-10-18/h5-12,21H,3-4,13-17H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyWCTMLFCDGPWPEW-OAQYLSRUSA-N
MW350.51 g/mol
LogP4.73
Rot. Bonds8

About (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide

(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 10594038) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID10594038
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCCCN(CCC)[C@@H]1CCc2cccc(C(=O)NCc3ccccc3)c21
InChIInChI=1S/C23H30N2O/c1-3-15-25(16-4-2)21-14-13-19-11-8-12-20(22(19)21)23(26)24-17-18-9-6-5-7-10-18/h5-12,21H,3-4,13-17H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyWCTMLFCDGPWPEW-OAQYLSRUSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
8-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18366451
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
(7R,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
CID 73349829
N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
CID 6621987
N-benzyl-2-methylsulfanylbenzamide
CID 966900
butyl 2-(benzylcarbamoyl)benzoate
CID 2306166
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 167807671
N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide
CID 88509492
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea
CID 107653329

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 10594038) is (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide is CCCN(CCC)[C@@H]1CCc2cccc(C(=O)NCc3ccccc3)c21.
What is the InChIKey of (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is WCTMLFCDGPWPEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-15-25(16-4-2)21-14-13-19-11-8-12-20(22(19)21)23(26)24-17-18-9-6-5-7-10-18/h5-12,21H,3-4,13-17H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-3-(dipropylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 10594038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).