1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide

C29H34N2O3 — CID 146371397

IUPAC1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide
SMILESC=CC=CCC=CC=CC=C(C)c1c(C(N)=O)c(OCCN2CCOCC2)cc2ccccc12
InChIInChI=1S/C29H34N2O3/c1-3-4-5-6-7-8-9-10-13-23(2)27-25-15-12-11-14-24(25)22-26(28(27)29(30)32)34-21-18-31-16-19-33-20-17-31/h3-5,7-15,22H,1,6,16-21H2,2H3,(H2,30,32)
InChIKeyCBISAMKAEQBOSX-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.30
Rot. Bonds11

About 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide

1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide (PubChem CID 146371397) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide
PubChem CID146371397
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide
SMILESC=CC=CCC=CC=CC=C(C)c1c(C(N)=O)c(OCCN2CCOCC2)cc2ccccc12
InChIInChI=1S/C29H34N2O3/c1-3-4-5-6-7-8-9-10-13-23(2)27-25-15-12-11-14-24(25)22-26(28(27)29(30)32)34-21-18-31-16-19-33-20-17-31/h3-5,7-15,22H,1,6,16-21H2,2H3,(H2,30,32)
InChIKeyCBISAMKAEQBOSX-UHFFFAOYSA-N
XLogP5.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-dodeca-1,4,6,8,11-pentaen-4-yl-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371385
1-[(4Z,6E,8E)-dodeca-1,4,6,8,11-pentaen-4-yl]-6-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371444
1-dodeca-1,4,6,8,11-pentaen-4-yl-6-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371445
2-dodeca-1,4,6,8,11-pentaen-4-yl-6-(2-morpholin-4-ylethoxy)-1-benzothiophene-5-carboxamide
CID 146371329
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 57205896
1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146346236
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
4-(2-morpholin-4-ylethoxy)-2-phenylpyridine-3-carboxamide
CID 175950070
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994

Frequently Asked Questions

What is the IUPAC name of 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide?
The IUPAC name of 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide (CID 146371397) is 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide.
What is the SMILES notation for 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide?
The canonical SMILES for 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide is C=CC=CCC=CC=CC=C(C)c1c(C(N)=O)c(OCCN2CCOCC2)cc2ccccc12.
What is the InChIKey of 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide?
The InChIKey is CBISAMKAEQBOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-3-4-5-6-7-8-9-10-13-23(2)27-25-15-12-11-14-24(25)22-26(28(27)29(30)32)34-21-18-31-16-19-33-20-17-31/h3-5,7-15,22H,1,6,16-21H2,2H3,(H2,30,32).
What are the key properties of 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide?
1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 146371397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).