tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

C17H33N3O4 — CID 3108335

IUPACtert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C17H33N3O4/c1-10(2)8-12(14(18)21)19-15(22)13(9-11(3)4)20-16(23)24-17(5,6)7/h10-13H,8-9H2,1-7H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyIXSNPCNZNIGQSE-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.94
Rot. Bonds8

About tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 3108335) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID3108335
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C17H33N3O4/c1-10(2)8-12(14(18)21)19-15(22)13(9-11(3)4)20-16(23)24-17(5,6)7/h10-13H,8-9H2,1-7H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyIXSNPCNZNIGQSE-UHFFFAOYSA-N
XLogP1.94
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 3108335) is tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is IXSNPCNZNIGQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-10(2)8-12(14(18)21)19-15(22)13(9-11(3)4)20-16(23)24-17(5,6)7/h10-13H,8-9H2,1-7H3,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 3108335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).