methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate

C20H26N2O3 — CID 57495429

IUPACmethyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate
SMILESCOC(=O)CCCC(C)NC(=O)c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-14(8-7-11-19(23)25-4)21-20(24)17-12-13-18(22(2)3)16-10-6-5-9-15(16)17/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,21,24)
InChIKeyFAERVJRRHVIXJA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.37
Rot. Bonds7

About methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate

methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate (PubChem CID 57495429) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate
PubChem CID57495429
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Namemethyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate
SMILESCOC(=O)CCCC(C)NC(=O)c1ccc(N(C)C)c2ccccc12
InChIInChI=1S/C20H26N2O3/c1-14(8-7-11-19(23)25-4)21-20(24)17-12-13-18(22(2)3)16-10-6-5-9-15(16)17/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,21,24)
InChIKeyFAERVJRRHVIXJA-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)naphthalene-1-carbohydrazide
CID 58897573
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
1-chloro-N-(4-methoxybutan-2-yl)isoquinoline-4-carboxamide
CID 106766226
methyl 5,5-diphenylpentanoate
CID 10923549
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
[(3S,4S)-4-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
CID 118762918
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-[(2R)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907040
N-[(2S)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907038
methyl 4-(4-fluoronaphthalen-1-yl)-4-oxobutanoate
CID 146006988

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate?
The IUPAC name of methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate (CID 57495429) is methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate.
What is the SMILES notation for methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate?
The canonical SMILES for methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate is COC(=O)CCCC(C)NC(=O)c1ccc(N(C)C)c2ccccc12.
What is the InChIKey of methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate?
The InChIKey is FAERVJRRHVIXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(8-7-11-19(23)25-4)21-20(24)17-12-13-18(22(2)3)16-10-6-5-9-15(16)17/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,21,24).
What are the key properties of methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate?
methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate has a molecular weight of 342.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate is sourced from PubChem (CID 57495429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).