8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide

C22H29N3O3 — CID 167943617

IUPAC8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCOc1cccc2cccc(C(=O)NC3CCN(CCN4CCOCC4)C3)c12
InChIInChI=1S/C22H29N3O3/c1-27-20-7-3-5-17-4-2-6-19(21(17)20)22(26)23-18-8-9-25(16-18)11-10-24-12-14-28-15-13-24/h2-7,18H,8-16H2,1H3,(H,23,26)
InChIKeyXLCWJPURIHABAY-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.98
Rot. Bonds6

About 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide

8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167943617) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167943617
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCOc1cccc2cccc(C(=O)NC3CCN(CCN4CCOCC4)C3)c12
InChIInChI=1S/C22H29N3O3/c1-27-20-7-3-5-17-4-2-6-19(21(17)20)22(26)23-18-8-9-25(16-18)11-10-24-12-14-28-15-13-24/h2-7,18H,8-16H2,1H3,(H,23,26)
InChIKeyXLCWJPURIHABAY-UHFFFAOYSA-N
XLogP1.98
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167792952
3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167976644
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167938541
2-hydroxy-3-methoxy-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 126822650
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 146083594
2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 129352911

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167943617) is 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide is COc1cccc2cccc(C(=O)NC3CCN(CCN4CCOCC4)C3)c12.
What is the InChIKey of 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is XLCWJPURIHABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-7-3-5-17-4-2-6-19(21(17)20)22(26)23-18-8-9-25(16-18)11-10-24-12-14-28-15-13-24/h2-7,18H,8-16H2,1H3,(H,23,26).
What are the key properties of 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167943617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).