N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide

C18H22N2O3 — CID 46573507

IUPACN-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOCC(C)NC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-13(12-23-2)20-17(21)9-10-19-18(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAIIINBXGAZTGTC-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.11
Rot. Bonds7

About N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide

N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46573507) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID46573507
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOCC(C)NC(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3/c1-13(12-23-2)20-17(21)9-10-19-18(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAIIINBXGAZTGTC-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide (CID 46573507) is N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide is COCC(C)NC(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is AIIINBXGAZTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(12-23-2)20-17(21)9-10-19-18(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46573507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).