N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide

C20H24N2O — CID 120648770

IUPACN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O/c21-12-5-13-22(15-16-6-2-1-3-7-16)20(23)19-11-10-17-8-4-9-18(17)14-19/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15,21H2
InChIKeyOFWJDUXFPODXRL-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.17
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide

N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 120648770) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID120648770
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O/c21-12-5-13-22(15-16-6-2-1-3-7-16)20(23)19-11-10-17-8-4-9-18(17)14-19/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15,21H2
InChIKeyOFWJDUXFPODXRL-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-6-oxo-1H-pyridine-3-carboxamide
CID 107365742
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide (CID 120648770) is N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide is NCCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is OFWJDUXFPODXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-12-5-13-22(15-16-6-2-1-3-7-16)20(23)19-11-10-17-8-4-9-18(17)14-19/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15,21H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide?
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 120648770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).