[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate

C14H27N3O5 — CID 163604170

IUPAC[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)ON(CCC(=O)NC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5/c1-7-16(8-2)12(19)22-17(10-9-11(18)15-6)13(20)21-14(3,4)5/h7-10H2,1-6H3,(H,15,18)
InChIKeyHAHYWUGOQUHQSI-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds5

About [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate

[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate (PubChem CID 163604170) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate.

Molecular Properties

Compound Name[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate
PubChem CID163604170
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)ON(CCC(=O)NC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O5/c1-7-16(8-2)12(19)22-17(10-9-11(18)15-6)13(20)21-14(3,4)5/h7-10H2,1-6H3,(H,15,18)
InChIKeyHAHYWUGOQUHQSI-UHFFFAOYSA-N
XLogP1.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate 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

3-[diethylcarbamoyloxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 118225036
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
sodium;tert-butyl N-hydroxycarbamate;N,N-diethylcarbamoyl chloride;hydride;bis(methyl 3-[diethylcarbamoyloxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate);[(2-methylpropan-2-yl)oxycarbonylamino] N,N-diethylcarbamate;methyl prop-2-enoate
CID 159004434
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
N',N'-diethyl-N-methylbutanediamide
CID 177056307
tert-butyl N-ethyl-N-(3-methyl-4-oxopentyl)carbamate
CID 142256576
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866

Frequently Asked Questions

What is the IUPAC name of [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate?
The IUPAC name of [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate (CID 163604170) is [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate.
What is the SMILES notation for [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate?
The canonical SMILES for [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate is CCN(CC)C(=O)ON(CCC(=O)NC)C(=O)OC(C)(C)C.
What is the InChIKey of [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate?
The InChIKey is HAHYWUGOQUHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O5/c1-7-16(8-2)12(19)22-17(10-9-11(18)15-6)13(20)21-14(3,4)5/h7-10H2,1-6H3,(H,15,18).
What are the key properties of [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate?
[[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(methylamino)-3-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] N,N-diethylcarbamate is sourced from PubChem (CID 163604170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).