2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate

C10H20N2O4 — CID 126007916

IUPAC2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C10H20N2O4/c1-8(2)7-16-10(14)12-6-9(13)11-4-5-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyHPPKRJQSMFLSPU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.13
Rot. Bonds7

About 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate

2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate (PubChem CID 126007916) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
PubChem CID126007916
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
SMILESCOCCNC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C10H20N2O4/c1-8(2)7-16-10(14)12-6-9(13)11-4-5-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyHPPKRJQSMFLSPU-UHFFFAOYSA-N
XLogP0.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
CID 142115980
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
CID 115573844
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate (CID 126007916) is 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate is COCCNC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
The InChIKey is HPPKRJQSMFLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)7-16-10(14)12-6-9(13)11-4-5-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate?
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 126007916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).