tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate

C17H27N3O3 — CID 103388662

IUPACtert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
SMILESCCNC(=O)c1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-6-18-15(21)13-7-9-14(10-8-13)20-12(2)11-19-16(22)23-17(3,4)5/h7-10,12,20H,6,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyWTEUEONQXOLROR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.76
Rot. Bonds6

About tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate

tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate (PubChem CID 103388662) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
PubChem CID103388662
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
SMILESCCNC(=O)c1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O3/c1-6-18-15(21)13-7-9-14(10-8-13)20-12(2)11-19-16(22)23-17(3,4)5/h7-10,12,20H,6,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyWTEUEONQXOLROR-UHFFFAOYSA-N
XLogP2.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-(2-cyanopropan-2-yl)anilino]propyl]carbamate
CID 103387974
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
CID 103387419
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9224948
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[2-[(6-methylsulfonyl-3-pyridinyl)amino]propyl]carbamate
CID 103387988
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate (CID 103388662) is tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate is CCNC(=O)c1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate?
The InChIKey is WTEUEONQXOLROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-6-18-15(21)13-7-9-14(10-8-13)20-12(2)11-19-16(22)23-17(3,4)5/h7-10,12,20H,6,11H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate?
tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate is sourced from PubChem (CID 103388662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).