tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate

C26H35N3O5 — CID 108920495

IUPACtert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate
SMILESCCCc1ccc(OCC(=O)Nc2ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H35N3O5/c1-5-6-19-9-13-22(14-10-19)33-18-24(31)29-21-11-7-20(8-12-21)17-28-23(30)15-16-27-25(32)34-26(2,3)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyRWVCSHLPHVQPEA-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.19
Rot. Bonds11

About tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate

tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate (PubChem CID 108920495) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate
PubChem CID108920495
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate
SMILESCCCc1ccc(OCC(=O)Nc2ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H35N3O5/c1-5-6-19-9-13-22(14-10-19)33-18-24(31)29-21-11-7-20(8-12-21)17-28-23(30)15-16-27-25(32)34-26(2,3)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyRWVCSHLPHVQPEA-UHFFFAOYSA-N
XLogP4.19
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920493
tert-butyl N-[3-[4-[[3-(4-methylphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920578
tert-butyl N-[3-oxo-3-[[4-(3-phenoxypropanoylamino)phenyl]methylamino]propyl]carbamate
CID 108920539
tert-butyl N-[3-[4-[[[2-(2-ethylphenoxy)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920594
tert-butyl N-[3-[[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920439
tert-butyl N-[3-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920485
tert-butyl N-[3-(4-decylanilino)-3-oxopropyl]carbamate
CID 162755789
tert-butyl N-[3-[[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921269
tert-butyl N-[3-oxo-3-[[4-(prop-2-enoylamino)phenyl]methylamino]propyl]carbamate
CID 108920722
tert-butyl N-[3-[[4-[(3,5-dihydroxybenzoyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920615
tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
tert-butyl N-[3-[[4-[[(E)-but-2-enoyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920724

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate (CID 108920495) is tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate is CCCc1ccc(OCC(=O)Nc2ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate?
The InChIKey is RWVCSHLPHVQPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-5-6-19-9-13-22(14-10-19)33-18-24(31)29-21-11-7-20(8-12-21)17-28-23(30)15-16-27-25(32)34-26(2,3)4/h7-14H,5-6,15-18H2,1-4H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate has a molecular weight of 469.58 g/mol, XLogP of 4.19, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[[4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]methylamino]propyl]carbamate is sourced from PubChem (CID 108920495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).