1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide

C19H24N2O3 — CID 153402720

IUPAC1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1OCCCCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c20-19(22)17-8-7-15-5-1-2-6-16(15)18(17)24-12-4-3-9-21-10-13-23-14-11-21/h1-2,5-8H,3-4,9-14H2,(H2,20,22)
InChIKeySVDBSYANKGRKID-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.43
Rot. Bonds7

About 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide

1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide (PubChem CID 153402720) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
PubChem CID153402720
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1OCCCCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c20-19(22)17-8-7-15-5-1-2-6-16(15)18(17)24-12-4-3-9-21-10-13-23-14-11-21/h1-2,5-8H,3-4,9-14H2,(H2,20,22)
InChIKeySVDBSYANKGRKID-UHFFFAOYSA-N
XLogP2.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146346236
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-[[1-(3-morpholin-4-ylpropyl)naphthalen-2-yl]amino]acetamide
CID 71197681
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
1-dodeca-1,4,6,8,11-pentaen-4-yl-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371385
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide (CID 153402720) is 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide is NC(=O)c1ccc2ccccc2c1OCCCCN1CCOCC1.
What is the InChIKey of 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
The InChIKey is SVDBSYANKGRKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c20-19(22)17-8-7-15-5-1-2-6-16(15)18(17)24-12-4-3-9-21-10-13-23-14-11-21/h1-2,5-8H,3-4,9-14H2,(H2,20,22).
What are the key properties of 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide?
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 153402720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).