tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate

C18H29N3O3 — CID 113268202

IUPACtert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
SMILESCCN(CC)C(=O)c1cccc(NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-6-21(7-2)16(22)14-9-8-10-15(13-14)19-11-12-20-17(23)24-18(3,4)5/h8-10,13,19H,6-7,11-12H2,1-5H3,(H,20,23)
InChIKeyIZWFEAQDOPCMTC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.11
Rot. Bonds7

About tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate

tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate (PubChem CID 113268202) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
PubChem CID113268202
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate
SMILESCCN(CC)C(=O)c1cccc(NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-6-21(7-2)16(22)14-9-8-10-15(13-14)19-11-12-20-17(23)24-18(3,4)5/h8-10,13,19H,6-7,11-12H2,1-5H3,(H,20,23)
InChIKeyIZWFEAQDOPCMTC-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.11
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

methyl 3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenyl]benzoate
CID 21191174
N,N-diethyl-3-(4-methylsulfanylbutylamino)benzamide
CID 103087235
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27804161
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]benzoate
CID 84548092
tert-butyl N-[2-[3-(cyanomethoxy)anilino]ethyl]carbamate
CID 115997337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate (CID 113268202) is tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate is CCN(CC)C(=O)c1cccc(NCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate?
The InChIKey is IZWFEAQDOPCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-21(7-2)16(22)14-9-8-10-15(13-14)19-11-12-20-17(23)24-18(3,4)5/h8-10,13,19H,6-7,11-12H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate?
tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(diethylcarbamoyl)anilino]ethyl]carbamate is sourced from PubChem (CID 113268202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).