tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate

C11H23N3O4 — CID 58758815

IUPACtert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
SMILESCNC(=O)NC(CNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C11H23N3O4/c1-11(2,3)18-10(16)13-6-8(7-17-5)14-9(15)12-4/h8H,6-7H2,1-5H3,(H,13,16)(H2,12,14,15)
InChIKeyQCXSQSFFAVNRPL-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.46
Rot. Bonds5

About tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate

tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate (PubChem CID 58758815) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
PubChem CID58758815
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate
SMILESCNC(=O)NC(CNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C11H23N3O4/c1-11(2,3)18-10(16)13-6-8(7-17-5)14-9(15)12-4/h8H,6-7H2,1-5H3,(H,13,16)(H2,12,14,15)
InChIKeyQCXSQSFFAVNRPL-UHFFFAOYSA-N
XLogP0.46
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate 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

tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 130120378
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropan-2-yl]carbamate
CID 88622275
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
S-[2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate
CID 140880775
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate (CID 58758815) is tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate is CNC(=O)NC(CNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate?
The InChIKey is QCXSQSFFAVNRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-11(2,3)18-10(16)13-6-8(7-17-5)14-9(15)12-4/h8H,6-7H2,1-5H3,(H,13,16)(H2,12,14,15).
What are the key properties of tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate?
tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methoxy-2-(methylcarbamoylamino)propyl]carbamate is sourced from PubChem (CID 58758815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).