ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate

C14H22N2O2 — CID 43703972

IUPACethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)16-13-8-6-12(7-9-13)15-11(4)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyONSIMESOERLHSN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.71
Rot. Bonds5

About ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate

ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate (PubChem CID 43703972) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
PubChem CID43703972
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-18-14(17)16-13-8-6-12(7-9-13)15-11(4)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyONSIMESOERLHSN-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
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[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
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ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate (CID 43703972) is ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NC(C)C(C)C)cc1.
What is the InChIKey of ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate?
The InChIKey is ONSIMESOERLHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-14(17)16-13-8-6-12(7-9-13)15-11(4)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate?
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate is sourced from PubChem (CID 43703972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).