2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate

C20H25N3O3 — CID 60586505

IUPAC2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(2)14-26-20(25)23-18-10-6-9-17(13-18)22-19(24)21-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyFTEMJHCOKMXEQY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.26
Rot. Bonds7

About 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate

2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate (PubChem CID 60586505) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
PubChem CID60586505
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O3/c1-15(2)14-26-20(25)23-18-10-6-9-17(13-18)22-19(24)21-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeyFTEMJHCOKMXEQY-UHFFFAOYSA-N
XLogP4.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61347620
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
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2-methylpropyl N-[3-(methylamino)phenyl]carbamate
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1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
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N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
2-methylpropyl N-(3-fluorophenyl)carbamate
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1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-phenylethyl)urea
CID 108872082
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
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2-methylpropyl N-[2-(3-tert-butylphenyl)ethyl]carbamate
CID 157372388

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate (CID 60586505) is 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate is CC(C)COC(=O)Nc1cccc(NC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The InChIKey is FTEMJHCOKMXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(2)14-26-20(25)23-18-10-6-9-17(13-18)22-19(24)21-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,23,25)(H2,21,22,24).
What are the key properties of 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate?
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate is sourced from PubChem (CID 60586505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).