tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate

C24H32N2O4 — CID 60557825

IUPACtert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)CCc1cccc(OC)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O4/c1-6-26(23(28)30-24(2,3)4)17-19-11-7-8-13-21(19)25-22(27)15-14-18-10-9-12-20(16-18)29-5/h7-13,16H,6,14-15,17H2,1-5H3,(H,25,27)
InChIKeyKSVATXPXEWQAHH-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.02
Rot. Bonds8

About tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate (PubChem CID 60557825) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
PubChem CID60557825
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Nametert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)CCc1cccc(OC)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O4/c1-6-26(23(28)30-24(2,3)4)17-19-11-7-8-13-21(19)25-22(27)15-14-18-10-9-12-20(16-18)29-5/h7-13,16H,6,14-15,17H2,1-5H3,(H,25,27)
InChIKeyKSVATXPXEWQAHH-UHFFFAOYSA-N
XLogP5.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-ethyl-N-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]phenyl]methyl]carbamate
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tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
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tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
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tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573
tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
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tert-butyl N-ethyl-N-[[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate (CID 60557825) is tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)CCc1cccc(OC)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate?
The InChIKey is KSVATXPXEWQAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-26(23(28)30-24(2,3)4)17-19-11-7-8-13-21(19)25-22(27)15-14-18-10-9-12-20(16-18)29-5/h7-13,16H,6,14-15,17H2,1-5H3,(H,25,27).
What are the key properties of tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate has a molecular weight of 412.53 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 60557825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).