benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate

C15H20N2O4 — CID 101334791

IUPACbenzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate
SMILESCCC(CC(=O)NC(C)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-13(9-14(19)16-11(2)18)17-15(20)21-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyHJPZFJKCXAJXHL-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.74
Rot. Bonds6

About benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate

benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate (PubChem CID 101334791) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate
PubChem CID101334791
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namebenzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate
SMILESCCC(CC(=O)NC(C)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-13(9-14(19)16-11(2)18)17-15(20)21-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyHJPZFJKCXAJXHL-UHFFFAOYSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(6-chloro-5-oxohexan-3-yl)carbamate
CID 104701895
[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
CID 10333076
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
benzyl N-(2-methyl-6-oxoheptan-4-yl)carbamate
CID 11780822
benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 131859948
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
CID 89365445
benzyl N-[(1S)-1-cyanopropyl]carbamate
CID 156781711
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate?
The IUPAC name of benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate (CID 101334791) is benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate is CCC(CC(=O)NC(C)=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate?
The InChIKey is HJPZFJKCXAJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-13(9-14(19)16-11(2)18)17-15(20)21-10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate?
benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate has a molecular weight of 292.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-acetamido-1-oxopentan-3-yl)carbamate is sourced from PubChem (CID 101334791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).