[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid

C12H18N2O3 — CID 154168710

IUPAC[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid
SMILESCCNC(=O)CN(C(=O)O)C1(C)C=CC=CC1
InChIInChI=1S/C12H18N2O3/c1-3-13-10(15)9-14(11(16)17)12(2)7-5-4-6-8-12/h4-7H,3,8-9H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFDHXIQKSPJCHRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.38
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid

[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid (PubChem CID 154168710) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid
PubChem CID154168710
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid
SMILESCCNC(=O)CN(C(=O)O)C1(C)C=CC=CC1
InChIInChI=1S/C12H18N2O3/c1-3-13-10(15)9-14(11(16)17)12(2)7-5-4-6-8-12/h4-7H,3,8-9H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFDHXIQKSPJCHRM-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid?
The IUPAC name of [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid (CID 154168710) is [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid is CCNC(=O)CN(C(=O)O)C1(C)C=CC=CC1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid?
The InChIKey is FDHXIQKSPJCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-13-10(15)9-14(11(16)17)12(2)7-5-4-6-8-12/h4-7H,3,8-9H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid?
[2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid has a molecular weight of 238.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl]-(1-methylcyclohexa-2,4-dien-1-yl)carbamic acid is sourced from PubChem (CID 154168710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).