N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide

C25H33N3O4 — CID 121316815

IUPACN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4/c1-25(2,3)19-8-10-20(11-9-19)26-23(29)22(18-6-12-21(31-5)13-7-18)27(4)24(30)28-14-16-32-17-15-28/h6-13,22H,14-17H2,1-5H3,(H,26,29)
InChIKeyBXIYOUNTLPIEQF-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide

N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 121316815) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
PubChem CID121316815
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H33N3O4/c1-25(2,3)19-8-10-20(11-9-19)26-23(29)22(18-6-12-21(31-5)13-7-18)27(4)24(30)28-14-16-32-17-15-28/h6-13,22H,14-17H2,1-5H3,(H,26,29)
InChIKeyBXIYOUNTLPIEQF-UHFFFAOYSA-N
XLogP4.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 40542048
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 121316708
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
CID 7279087
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060
N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59639327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide (CID 121316815) is N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide is COc1ccc(C(C(=O)Nc2ccc(C(C)(C)C)cc2)N(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is BXIYOUNTLPIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-25(2,3)19-8-10-20(11-9-19)26-23(29)22(18-6-12-21(31-5)13-7-18)27(4)24(30)28-14-16-32-17-15-28/h6-13,22H,14-17H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide?
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 121316815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).