tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate

C24H33N3O4 — CID 42946614

IUPACtert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccccc1C(CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)N(C)C
InChIInChI=1S/C24H33N3O4/c1-24(2,3)31-23(29)26-18-13-11-17(12-14-18)15-22(28)25-16-20(27(4)5)19-9-7-8-10-21(19)30-6/h7-14,20H,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyRELWHIRSKBTXEW-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.00
Rot. Bonds8

About tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate (PubChem CID 42946614) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
PubChem CID42946614
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nametert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccccc1C(CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)N(C)C
InChIInChI=1S/C24H33N3O4/c1-24(2,3)31-23(29)26-18-13-11-17(12-14-18)15-22(28)25-16-20(27(4)5)19-9-7-8-10-21(19)30-6/h7-14,20H,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyRELWHIRSKBTXEW-UHFFFAOYSA-N
XLogP4.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46556125
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
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N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
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1-(4-butylphenyl)-3-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiourea
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tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
1-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)thiourea
CID 8655053
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate (CID 42946614) is tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate is COc1ccccc1C(CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)N(C)C.
What is the InChIKey of tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is RELWHIRSKBTXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2,3)31-23(29)26-18-13-11-17(12-14-18)15-22(28)25-16-20(27(4)5)19-9-7-8-10-21(19)30-6/h7-14,20H,15-16H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 427.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 42946614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).