(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate

C13H20N2O2 — CID 159970394

IUPAC(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
SMILESCCc1ccc(COC(=O)NNC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-11-5-7-12(8-6-11)9-17-13(16)15-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyRTYDZPBCYVTADA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds5

About (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate

(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate (PubChem CID 159970394) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate.

Molecular Properties

Compound Name(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
PubChem CID159970394
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
SMILESCCc1ccc(COC(=O)NNC(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-11-5-7-12(8-6-11)9-17-13(16)15-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyRTYDZPBCYVTADA-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
CID 134513469
ethane;(4-ethylphenyl)methyl carbonofluoridate
CID 178047310
(4-ethylphenyl)methyl 2-aminoacetate
CID 94253757
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
(4-ethylphenyl)methyl N-(1-amino-3-hydroxy-2-methyl-1-oxopropan-2-yl)carbamate
CID 142149738
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 60596157
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate?
The IUPAC name of (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate (CID 159970394) is (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate.
What is the SMILES notation for (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate?
The canonical SMILES for (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate is CCc1ccc(COC(=O)NNC(C)C)cc1.
What is the InChIKey of (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate?
The InChIKey is RTYDZPBCYVTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11-5-7-12(8-6-11)9-17-13(16)15-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate?
(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate is sourced from PubChem (CID 159970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).