N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C22H31N3O3 — CID 46092656

IUPACN-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1noc2c1CCc1ccc(OC)cc1-2
InChIInChI=1S/C22H31N3O3/c1-5-25(6-2)13-7-8-15(3)23-22(26)20-18-12-10-16-9-11-17(27-4)14-19(16)21(18)28-24-20/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,23,26)
InChIKeyXPZWSUGRVGBRJE-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.69
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 46092656) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID46092656
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1noc2c1CCc1ccc(OC)cc1-2
InChIInChI=1S/C22H31N3O3/c1-5-25(6-2)13-7-8-15(3)23-22(26)20-18-12-10-16-9-11-17(27-4)14-19(16)21(18)28-24-20/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,23,26)
InChIKeyXPZWSUGRVGBRJE-UHFFFAOYSA-N
XLogP3.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087308
N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 92761253
8-methoxy-N,N-dipropyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46087270
8-methoxy-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 92760139
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427636
(2S)-2-[(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 139676323
N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 46097293
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
N-[5-(diethylamino)pentan-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 46092683
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
N-[(2,5-dimethoxyphenyl)methyl]-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943610

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 46092656) is N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is CCN(CC)CCCC(C)NC(=O)c1noc2c1CCc1ccc(OC)cc1-2.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is XPZWSUGRVGBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-25(6-2)13-7-8-15(3)23-22(26)20-18-12-10-16-9-11-17(27-4)14-19(16)21(18)28-24-20/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 46092656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).