tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate

C16H25N3O3 — CID 103387419

IUPACtert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
SMILESCNC(=O)c1cccc(NC(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(10-18-15(21)22-16(2,3)4)19-13-8-6-7-12(9-13)14(20)17-5/h6-9,11,19H,10H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyZTJCRCZBFVBQTD-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate

tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate (PubChem CID 103387419) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
PubChem CID103387419
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
SMILESCNC(=O)c1cccc(NC(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-11(10-18-15(21)22-16(2,3)4)19-13-8-6-7-12(9-13)14(20)17-5/h6-9,11,19H,10H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyZTJCRCZBFVBQTD-UHFFFAOYSA-N
XLogP2.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
tert-butyl N-[2-(3-pyrrol-1-ylanilino)propyl]carbamate
CID 103388732
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
CID 103388662
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8949188
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl 3-(methylcarbamoyl)benzoate
CID 138647614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate (CID 103387419) is tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate is CNC(=O)c1cccc(NC(C)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate?
The InChIKey is ZTJCRCZBFVBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(10-18-15(21)22-16(2,3)4)19-13-8-6-7-12(9-13)14(20)17-5/h6-9,11,19H,10H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate?
tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate is sourced from PubChem (CID 103387419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).