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

C21H26N2O4 — CID 46470838

IUPACtert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
SMILESCOCc1cccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)23-18-10-6-9-17(12-18)19(24)22-13-15-7-5-8-16(11-15)14-26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUTYQTEYUYLXPIP-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.11
Rot. Bonds6

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

tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate (PubChem CID 46470838) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
PubChem CID46470838
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Nametert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
SMILESCOCc1cccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)23-18-10-6-9-17(12-18)19(24)22-13-15-7-5-8-16(11-15)14-26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUTYQTEYUYLXPIP-UHFFFAOYSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
tert-butyl N-[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 24536954
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 55539748
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
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-(cyanomethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 18421665
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate (CID 46470838) is tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate is COCc1cccc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The InChIKey is UTYQTEYUYLXPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)27-20(25)23-18-10-6-9-17(12-18)19(24)22-13-15-7-5-8-16(11-15)14-26-4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.11, 6 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-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 46470838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).