1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane

C11H24N2O5 — CID 145090115

IUPAC1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane
SMILESCC.CNC(=O)C(C)CNC(=O)OC(CO)CO
InChIInChI=1S/C9H18N2O5.C2H6/c1-6(8(14)10-2)3-11-9(15)16-7(4-12)5-13;1-2/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15);1-2H3
InChIKeyMJNBWIGXDBSBGX-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.53
Rot. Bonds6

About 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane

1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane (PubChem CID 145090115) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane
PubChem CID145090115
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane
SMILESCC.CNC(=O)C(C)CNC(=O)OC(CO)CO
InChIInChI=1S/C9H18N2O5.C2H6/c1-6(8(14)10-2)3-11-9(15)16-7(4-12)5-13;1-2/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15);1-2H3
InChIKeyMJNBWIGXDBSBGX-UHFFFAOYSA-N
XLogP-0.53
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
5-hydroxy-N,2,4-trimethylpentanamide
CID 157214325
methyl 4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]carbamoylamino]benzoate
CID 166872286
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
N,2,5-trimethylhexanamide
CID 78065622
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
(2S)-4-hydroxy-4-methoxy-N,2-dimethylbutanamide
CID 147676110

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane?
The IUPAC name of 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane (CID 145090115) is 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane?
The canonical SMILES for 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane is CC.CNC(=O)C(C)CNC(=O)OC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane?
The InChIKey is MJNBWIGXDBSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5.C2H6/c1-6(8(14)10-2)3-11-9(15)16-7(4-12)5-13;1-2/h6-7,12-13H,3-5H2,1-2H3,(H,10,14)(H,11,15);1-2H3.
What are the key properties of 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane?
1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane has a molecular weight of 264.32 g/mol, XLogP of -0.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl N-[2-methyl-3-(methylamino)-3-oxopropyl]carbamate;ethane is sourced from PubChem (CID 145090115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).