tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate

C23H30N4O4 — CID 108919913

IUPACtert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-15-14-20(28)25-17-8-10-18(11-9-17)26-21(29)16-6-12-19(13-7-16)27(4)5/h6-13H,14-15H2,1-5H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyOKECNWMDRZYCND-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.86
Rot. Bonds7

About tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate (PubChem CID 108919913) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
PubChem CID108919913
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nametert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
SMILESCN(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-15-14-20(28)25-17-8-10-18(11-9-17)26-21(29)16-6-12-19(13-7-16)27(4)5/h6-13H,14-15H2,1-5H3,(H,24,30)(H,25,28)(H,26,29)
InChIKeyOKECNWMDRZYCND-UHFFFAOYSA-N
XLogP3.86
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919874
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
tert-butyl N-[3-[4-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919818
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735218
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoate
CID 9138835
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
tert-butyl N-[3-oxo-3-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]propyl]carbamate
CID 108920014
tert-butyl N-[3-[2-[[4-(methanesulfonamido)benzoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920228
tert-butyl N-[3-[4-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate (CID 108919913) is tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate is CN(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate?
The InChIKey is OKECNWMDRZYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-15-14-20(28)25-17-8-10-18(11-9-17)26-21(29)16-6-12-19(13-7-16)27(4)5/h6-13H,14-15H2,1-5H3,(H,24,30)(H,25,28)(H,26,29).
What are the key properties of tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate is sourced from PubChem (CID 108919913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).