tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate

C20H24N2O3 — CID 7669388

IUPACtert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
SMILESCc1ccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-15(11-9-14)13-21-18(23)16-6-5-7-17(12-16)22-19(24)25-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKLDNHOHMLPKCQR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.27
Rot. Bonds4

About tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 7669388) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
PubChem CID7669388
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
SMILESCc1ccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-15(11-9-14)13-21-18(23)16-6-5-7-17(12-16)22-19(24)25-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKLDNHOHMLPKCQR-UHFFFAOYSA-N
XLogP4.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141021076
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 46470838
tert-butyl N-[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 24536954
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 55539748
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate (CID 7669388) is tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate is Cc1ccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is KLDNHOHMLPKCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-10-15(11-9-14)13-21-18(23)16-6-5-7-17(12-16)22-19(24)25-20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 7669388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).