tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate

C14H29N3O3 — CID 107443031

IUPACtert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate
SMILESCCNC(C(N)=O)C(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H29N3O3/c1-7-16-11(12(15)18)10(9(2)3)8-17-13(19)20-14(4,5)6/h9-11,16H,7-8H2,1-6H3,(H2,15,18)(H,17,19)
InChIKeySDHYJZSVPOXAHX-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.25
Rot. Bonds7

About tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate

tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate (PubChem CID 107443031) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate
PubChem CID107443031
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Nametert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate
SMILESCCNC(C(N)=O)C(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H29N3O3/c1-7-16-11(12(15)18)10(9(2)3)8-17-13(19)20-14(4,5)6/h9-11,16H,7-8H2,1-6H3,(H2,15,18)(H,17,19)
InChIKeySDHYJZSVPOXAHX-UHFFFAOYSA-N
XLogP1.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-(2-methoxyethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate
CID 107443050
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate (CID 107443031) is tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate is CCNC(C(N)=O)C(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate?
The InChIKey is SDHYJZSVPOXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-7-16-11(12(15)18)10(9(2)3)8-17-13(19)20-14(4,5)6/h9-11,16H,7-8H2,1-6H3,(H2,15,18)(H,17,19).
What are the key properties of tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate?
tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate has a molecular weight of 287.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(ethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate is sourced from PubChem (CID 107443031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).