tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate

C15H29N3O4 — CID 108537243

IUPACtert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-14(2,3)12(20)17-10-9-16-11(19)7-8-18-13(21)22-15(4,5)6/h7-10H2,1-6H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyWTYZQMCSBSYYIP-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.18
Rot. Bonds6

About tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate (PubChem CID 108537243) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
PubChem CID108537243
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H29N3O4/c1-14(2,3)12(20)17-10-9-16-11(19)7-8-18-13(21)22-15(4,5)6/h7-10H2,1-6H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyWTYZQMCSBSYYIP-UHFFFAOYSA-N
XLogP1.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
CID 90445538
tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
CID 139351800
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
tert-butyl (2R)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]propanoate
CID 80998758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate (CID 108537243) is tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate?
The InChIKey is WTYZQMCSBSYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-14(2,3)12(20)17-10-9-16-11(19)7-8-18-13(21)22-15(4,5)6/h7-10H2,1-6H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 108537243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).