[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate

C15H22N2O4 — CID 166791710

IUPAC[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCC(C)(C)C(O)C(OC(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)12(18)11(21-14(16)20)13(19)17-9-10-7-5-4-6-8-10/h4-8,11-12,18H,9H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyNASPYNNGZSDNFP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.17
Rot. Bonds5

About [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate

[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate (PubChem CID 166791710) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate
PubChem CID166791710
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCC(C)(C)C(O)C(OC(N)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)12(18)11(21-14(16)20)13(19)17-9-10-7-5-4-6-8-10/h4-8,11-12,18H,9H2,1-3H3,(H2,16,20)(H,17,19)
InChIKeyNASPYNNGZSDNFP-UHFFFAOYSA-N
XLogP1.17
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-3-acetyloxy-1,4-bis(benzylamino)-1,4-dioxobutan-2-yl] acetate
CID 7232226
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] 2-phenylacetate
CID 134865805
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
(2R)-2-acetamido-N-benzyl-3,3-dimethylbutanamide
CID 53364150
(2S)-2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 119750973
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
methyl 3-(benzylamino)-2-methoxy-3-oxopropanoate
CID 121013025
N-benzyl-2-methylpropanamide;methane
CID 160760567

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The IUPAC name of [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate (CID 166791710) is [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate is CC(C)(C)C(O)C(OC(N)=O)C(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The InChIKey is NASPYNNGZSDNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)12(18)11(21-14(16)20)13(19)17-9-10-7-5-4-6-8-10/h4-8,11-12,18H,9H2,1-3H3,(H2,16,20)(H,17,19).
What are the key properties of [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
[1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 166791710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).