N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide

C27H33N3O3 — CID 56564245

IUPACN-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCCOc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C27H33N3O3/c31-27(10-4-19-33-26-9-3-7-24-6-1-2-8-25(24)26)30(22-23-11-13-28-14-12-23)16-5-15-29-17-20-32-21-18-29/h1-3,6-9,11-14H,4-5,10,15-22H2
InChIKeyDJAQADBTLQWZLF-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.14
Rot. Bonds11

About N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide

N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 56564245) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
PubChem CID56564245
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCCOc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C27H33N3O3/c31-27(10-4-19-33-26-9-3-7-24-6-1-2-8-25(24)26)30(22-23-11-13-28-14-12-23)16-5-15-29-17-20-32-21-18-29/h1-3,6-9,11-14H,4-5,10,15-22H2
InChIKeyDJAQADBTLQWZLF-UHFFFAOYSA-N
XLogP4.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564495
N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 55436371
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide (CID 56564245) is N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide is O=C(CCCOc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is DJAQADBTLQWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c31-27(10-4-19-33-26-9-3-7-24-6-1-2-8-25(24)26)30(22-23-11-13-28-14-12-23)16-5-15-29-17-20-32-21-18-29/h1-3,6-9,11-14H,4-5,10,15-22H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide?
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 447.58 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 56564245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).