tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate

C22H28N2O4 — CID 24533397

IUPACtert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
SMILESCc1cccc(OCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C22H28N2O4/c1-16-8-5-11-19(14-16)27-13-7-12-23-20(25)17-9-6-10-18(15-17)24-21(26)28-22(2,3)4/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWUSNTGZWMGGHIR-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.54
Rot. Bonds7

About tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate (PubChem CID 24533397) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
PubChem CID24533397
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
SMILESCc1cccc(OCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C22H28N2O4/c1-16-8-5-11-19(14-16)27-13-7-12-23-20(25)17-9-6-10-18(15-17)24-21(26)28-22(2,3)4/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWUSNTGZWMGGHIR-UHFFFAOYSA-N
XLogP4.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.54
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

tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
N-(3-methoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 26160097
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-(3-ethoxypropyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 87005156
tert-butyl N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate
CID 34249305
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
CID 110613457
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 118056664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate (CID 24533397) is tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate is Cc1cccc(OCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate?
The InChIKey is WUSNTGZWMGGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16-8-5-11-19(14-16)27-13-7-12-23-20(25)17-9-6-10-18(15-17)24-21(26)28-22(2,3)4/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 24533397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).