tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

C15H28N2O4 — CID 173199529

IUPACtert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUFFZJGSFIHNANA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.57
Rot. Bonds5

About tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 173199529) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID173199529
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUFFZJGSFIHNANA-UHFFFAOYSA-N
XLogP1.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.57
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-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 173199529) is tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(=O)NCC1CCCCC1.
What is the InChIKey of tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is UFFZJGSFIHNANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h11-12,18H,4-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 173199529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).