N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide

C15H22N2O2 — CID 106243560

IUPACN-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(N)CCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10,16H2,1H3,(H,17,18)
InChIKeyDNMVNIPPOYTHEH-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.88
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106243560) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106243560
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOCC(N)CCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10,16H2,1H3,(H,17,18)
InChIKeyDNMVNIPPOYTHEH-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
(2S)-4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107834568
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779
(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106247547

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106243560) is N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide is COCC(N)CCNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is DNMVNIPPOYTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-10-14(16)6-7-17-15(18)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14H,6-10,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106243560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).