N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide

C21H26N2O2 — CID 67610252

IUPACN-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc3c2CCC3N)c(OC)c1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-14-9-10-17(20(13-14)25-2)21(24)23-19-8-5-7-15-16(19)11-12-18(15)22/h5,7-10,13,18H,3-4,6,11-12,22H2,1-2H3,(H,23,24)
InChIKeyHQRVPFZEXCYMDJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.24
Rot. Bonds6

About N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide

N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide (PubChem CID 67610252) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide
PubChem CID67610252
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc3c2CCC3N)c(OC)c1
InChIInChI=1S/C21H26N2O2/c1-3-4-6-14-9-10-17(20(13-14)25-2)21(24)23-19-8-5-7-15-16(19)11-12-18(15)22/h5,7-10,13,18H,3-4,6,11-12,22H2,1-2H3,(H,23,24)
InChIKeyHQRVPFZEXCYMDJ-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[8-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-methoxybenzamide
CID 67610220
4-butyl-2,3-dihydro-1H-inden-1-amine
CID 103852528
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-(1-amino-2,3-dihydro-1H-inden-4-yl)propane-1-sulfonamide
CID 165486719
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide?
The IUPAC name of N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide (CID 67610252) is N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide is CCCCc1ccc(C(=O)Nc2cccc3c2CCC3N)c(OC)c1.
What is the InChIKey of N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide?
The InChIKey is HQRVPFZEXCYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-4-6-14-9-10-17(20(13-14)25-2)21(24)23-19-8-5-7-15-16(19)11-12-18(15)22/h5,7-10,13,18H,3-4,6,11-12,22H2,1-2H3,(H,23,24).
What are the key properties of N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide?
N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dihydro-1H-inden-4-yl)-4-butyl-2-methoxybenzamide is sourced from PubChem (CID 67610252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).