N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide

C26H29N3O4 — CID 118913457

IUPACN-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H29N3O4/c1-32-22-9-10-23(26(31)27-11-4-12-29-13-15-33-16-14-29)24(18-22)28-25(30)21-8-7-19-5-2-3-6-20(19)17-21/h2-3,5-10,17-18H,4,11-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyYERVDKZYOUOLRC-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.55
Rot. Bonds8

About N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide

N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 118913457) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID118913457
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H29N3O4/c1-32-22-9-10-23(26(31)27-11-4-12-29-13-15-33-16-14-29)24(18-22)28-25(30)21-8-7-19-5-2-3-6-20(19)17-21/h2-3,5-10,17-18H,4,11-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyYERVDKZYOUOLRC-UHFFFAOYSA-N
XLogP3.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
CID 146931849
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18859143
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide (CID 118913457) is N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide is COc1ccc(C(=O)NCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is YERVDKZYOUOLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-22-9-10-23(26(31)27-11-4-12-29-13-15-33-16-14-29)24(18-22)28-25(30)21-8-7-19-5-2-3-6-20(19)17-21/h2-3,5-10,17-18H,4,11-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide?
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 118913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).