4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate

C22H28N2O3 — CID 162027640

IUPAC4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate
SMILESCCOC(C)=O.NCc1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H20N2O.C4H8O2/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17;1-3-6-4(2)5/h5-11H,1-4,12,19H2,(H,20,21);3H2,1-2H3
InChIKeyYVPFCPVLHNOMLC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds4

About 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate

4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate (PubChem CID 162027640) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate
PubChem CID162027640
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate
SMILESCCOC(C)=O.NCc1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C18H20N2O.C4H8O2/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17;1-3-6-4(2)5/h5-11H,1-4,12,19H2,(H,20,21);3H2,1-2H3
InChIKeyYVPFCPVLHNOMLC-UHFFFAOYSA-N
XLogP3.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775505
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate?
The IUPAC name of 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate (CID 162027640) is 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate.
What is the SMILES notation for 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate?
The canonical SMILES for 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate is CCOC(C)=O.NCc1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate?
The InChIKey is YVPFCPVLHNOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C4H8O2/c19-12-13-5-7-15(8-6-13)18(21)20-17-10-9-14-3-1-2-4-16(14)11-17;1-3-6-4(2)5/h5-11H,1-4,12,19H2,(H,20,21);3H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate?
4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate has a molecular weight of 368.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate is sourced from PubChem (CID 162027640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).