propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate

C19H29FN2O4 — CID 141411377

IUPACpropan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(F)c1
InChIInChI=1S/C19H29FN2O4/c1-6-13(4)17(22-19(24)26-12(2)3)18(23)21-14(5)11-25-16-9-7-8-15(20)10-16/h7-10,12-14,17H,6,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyCEQFMLOSSXLVJX-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.26
Rot. Bonds9

About propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate

propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 141411377) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID141411377
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Namepropan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(F)c1
InChIInChI=1S/C19H29FN2O4/c1-6-13(4)17(22-19(24)26-12(2)3)18(23)21-14(5)11-25-16-9-7-8-15(20)10-16/h7-10,12-14,17H,6,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyCEQFMLOSSXLVJX-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 141411377) is propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(F)c1.
What is the InChIKey of propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CEQFMLOSSXLVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-6-13(4)17(22-19(24)26-12(2)3)18(23)21-14(5)11-25-16-9-7-8-15(20)10-16/h7-10,12-14,17H,6,11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate?
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 368.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 141411377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).