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

C27H30N2O4 — CID 149049909

IUPACN-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(C(=O)CCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H30N2O4/c1-32-23-11-12-24(26(30)8-4-5-13-29-14-16-33-17-15-29)25(19-23)28-27(31)22-10-9-20-6-2-3-7-21(20)18-22/h2-3,6-7,9-12,18-19H,4-5,8,13-17H2,1H3,(H,28,31)
InChIKeyQJPQKUZZTUPVKC-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.79
Rot. Bonds9

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

N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 149049909) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide
PubChem CID149049909
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(C(=O)CCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C27H30N2O4/c1-32-23-11-12-24(26(30)8-4-5-13-29-14-16-33-17-15-29)25(19-23)28-27(31)22-10-9-20-6-2-3-7-21(20)18-22/h2-3,6-7,9-12,18-19H,4-5,8,13-17H2,1H3,(H,28,31)
InChIKeyQJPQKUZZTUPVKC-UHFFFAOYSA-N
XLogP4.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-{4-[2-(dimethylamino)ethoxy]phenyl}propan-2-yl)-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748526
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
ethyl 7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
CID 71462396
6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155511816
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
CID 155526745
3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide
CID 1104012
O-{4-[(1-naphthylamino)carbonyl]phenyl} 4-morpholinecarbothioate
CID 1354484
N-[4-[2-[(4-methoxyphenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 10074958
N-(3-methoxyphenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 23112208
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
N-[4-(7-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]naphthalene-2-carboxamide
CID 44390237
N-(3-tert-butylphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
CID 49862707

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide (CID 149049909) is N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide is COc1ccc(C(=O)CCCCN2CCOCC2)c(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is QJPQKUZZTUPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-32-23-11-12-24(26(30)8-4-5-13-29-14-16-33-17-15-29)25(19-23)28-27(31)22-10-9-20-6-2-3-7-21(20)18-22/h2-3,6-7,9-12,18-19H,4-5,8,13-17H2,1H3,(H,28,31).
What are the key properties of N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide?
N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 149049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).