4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide

C17H22N2O3 — CID 120932205

IUPAC4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCOCC1
InChIInChI=1S/C17H22N2O3/c18-11-17(6-8-22-9-7-17)16(21)19-13-5-4-12-2-1-3-15(20)14(12)10-13/h4-5,10H,1-3,6-9,11,18H2,(H,19,21)
InChIKeyMXQBXFCATGPDKT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.90
Rot. Bonds3

About 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide (PubChem CID 120932205) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
PubChem CID120932205
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCOCC1
InChIInChI=1S/C17H22N2O3/c18-11-17(6-8-22-9-7-17)16(21)19-13-5-4-12-2-1-3-15(20)14(12)10-13/h4-5,10H,1-3,6-9,11,18H2,(H,19,21)
InChIKeyMXQBXFCATGPDKT-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
CID 120922186
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
CID 120937859
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide (CID 120932205) is 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide?
The InChIKey is MXQBXFCATGPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c18-11-17(6-8-22-9-7-17)16(21)19-13-5-4-12-2-1-3-15(20)14(12)10-13/h4-5,10H,1-3,6-9,11,18H2,(H,19,21).
What are the key properties of 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 120932205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).