N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide

C22H28N2O3 — CID 162051506

IUPACN-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(CC(=O)CCN)CC3)ccc2c1
InChIInChI=1S/C22H28N2O3/c1-27-21-9-6-16-13-18(5-4-17(16)14-21)22(26)24-19-7-2-15(3-8-19)12-20(25)10-11-23/h4-6,9,13-15,19H,2-3,7-8,10-12,23H2,1H3,(H,24,26)
InChIKeyYYPLDVKKRSGMLE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.44
Rot. Bonds7

About N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide

N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide (PubChem CID 162051506) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide
PubChem CID162051506
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCC(CC(=O)CCN)CC3)ccc2c1
InChIInChI=1S/C22H28N2O3/c1-27-21-9-6-16-13-18(5-4-17(16)14-21)22(26)24-19-7-2-15(3-8-19)12-20(25)10-11-23/h4-6,9,13-15,19H,2-3,7-8,10-12,23H2,1H3,(H,24,26)
InChIKeyYYPLDVKKRSGMLE-UHFFFAOYSA-N
XLogP3.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide (CID 162051506) is N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide is COc1ccc2cc(C(=O)NC3CCC(CC(=O)CCN)CC3)ccc2c1.
What is the InChIKey of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide?
The InChIKey is YYPLDVKKRSGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-21-9-6-16-13-18(5-4-17(16)14-21)22(26)24-19-7-2-15(3-8-19)12-20(25)10-11-23/h4-6,9,13-15,19H,2-3,7-8,10-12,23H2,1H3,(H,24,26).
What are the key properties of N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide?
N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-oxobutyl)cyclohexyl]-6-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 162051506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).