N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C29H34N2O5 — CID 11375263

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C29H34N2O5/c1-29(2,3)20-9-11-26(34-4)24(19-20)30-28(33)27(32)23-10-12-25(22-8-6-5-7-21(22)23)36-18-15-31-13-16-35-17-14-31/h5-12,19H,13-18H2,1-4H3,(H,30,33)
InChIKeyGHVRAPBHFZUHHM-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.68
Rot. Bonds8

About N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 11375263) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID11375263
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C29H34N2O5/c1-29(2,3)20-9-11-26(34-4)24(19-20)30-28(33)27(32)23-10-12-25(22-8-6-5-7-21(22)23)36-18-15-31-13-16-35-17-14-31/h5-12,19H,13-18H2,1-4H3,(H,30,33)
InChIKeyGHVRAPBHFZUHHM-UHFFFAOYSA-N
XLogP4.68
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Itx-5061
CID 56843466
Benzenepropanamide, 3-((2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-N-(2-methoxyphenyl)-beta-oxo-
CID 119780
ITX-5061 free base
CID 11786594
N-(6-(4-(2-methoxyphenyl)piperazin-1-yl)hexyl)-2-naphthamide
CID 49864360
3-methoxy-N-(4-morpholin-4-ylphenyl)naphthalene-2-carboxamide
CID 1104012
2-[3-[[2,3-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 11178659
2-[3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-methylphenyl]acetic acid
CID 11236846
2-[3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 11259714
2-[3-[[2,3-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]-4-methylphenyl]acetic acid
CID 11294449
2-[3-[[2,6-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
CID 11328662
N-(5-tert-butyl-2-methoxy-3-(methylsulfonamido)phenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)acetamide
CID 11421730
5-tert-butyl-N-cyclopropyl-2-methoxy-3-(2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamido)benzamide
CID 11444535

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 11375263) is N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is GHVRAPBHFZUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-29(2,3)20-9-11-26(34-4)24(19-20)30-28(33)27(32)23-10-12-25(22-8-6-5-7-21(22)23)36-18-15-31-13-16-35-17-14-31/h5-12,19H,13-18H2,1-4H3,(H,30,33).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 490.60 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 11375263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).