methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate

C20H24N2O4 — CID 55847451

IUPACmethyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-18-6-4-5-16(11-18)19(23)21-12-15-7-9-17(10-8-15)22-20(24)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOLHZYVMGFZNQRW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.83
Rot. Bonds7

About methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate (PubChem CID 55847451) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
PubChem CID55847451
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-14(2)13-26-18-6-4-5-16(11-18)19(23)21-12-15-7-9-17(10-8-15)22-20(24)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOLHZYVMGFZNQRW-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 119751160
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(4-methoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17099390
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate (CID 55847451) is methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate?
The InChIKey is OLHZYVMGFZNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)13-26-18-6-4-5-16(11-18)19(23)21-12-15-7-9-17(10-8-15)22-20(24)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).