tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate

C20H35N5O4 — CID 99787124

IUPACtert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate
SMILESCCCNC(=O)CN(CCC)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35N5O4/c1-8-10-21-16(26)14-25(11-9-2)18(27)17(15-12-22-23(6)13-15)24(7)19(28)29-20(3,4)5/h12-13,17H,8-11,14H2,1-7H3,(H,21,26)/t17-/m1/s1
InChIKeyFNAGZQPRKXKORN-QGZVFWFLSA-N
MW409.53 g/mol
LogP2.09
Rot. Bonds9

About tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate

tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate (PubChem CID 99787124) has the molecular formula C20H35N5O4 and a molecular weight of 409.53 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate
PubChem CID99787124
Molecular FormulaC20H35N5O4
Molecular Weight409.53 g/mol
Exact Mass409.27
IUPAC Nametert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate
SMILESCCCNC(=O)CN(CCC)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35N5O4/c1-8-10-21-16(26)14-25(11-9-2)18(27)17(15-12-22-23(6)13-15)24(7)19(28)29-20(3,4)5/h12-13,17H,8-11,14H2,1-7H3,(H,21,26)/t17-/m1/s1
InChIKeyFNAGZQPRKXKORN-QGZVFWFLSA-N
XLogP2.09
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate (CID 99787124) is tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate is CCCNC(=O)CN(CCC)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate?
The InChIKey is FNAGZQPRKXKORN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H35N5O4/c1-8-10-21-16(26)14-25(11-9-2)18(27)17(15-12-22-23(6)13-15)24(7)19(28)29-20(3,4)5/h12-13,17H,8-11,14H2,1-7H3,(H,21,26)/t17-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate?
tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate has a molecular weight of 409.53 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate is sourced from PubChem (CID 99787124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).