tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate

C15H30N2O3 — CID 62198577

IUPACtert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
SMILESCCCCC(C)NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-7-9-12(2)17-13(18)10-8-11-16-14(19)20-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyMELQDMAIQGYCFF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.99
Rot. Bonds8

About tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate (PubChem CID 62198577) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
PubChem CID62198577
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
SMILESCCCCC(C)NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-7-9-12(2)17-13(18)10-8-11-16-14(19)20-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyMELQDMAIQGYCFF-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
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tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
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tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
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tert-butyl N-[(2R)-heptan-2-yl]carbamate
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tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
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tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
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tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
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6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
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4-acetamido-N-octan-2-ylbutanamide
CID 90319898

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate (CID 62198577) is tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate is CCCCC(C)NC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate?
The InChIKey is MELQDMAIQGYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-7-9-12(2)17-13(18)10-8-11-16-14(19)20-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 62198577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).