ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate

C18H21N3O5 — CID 47043505

IUPACethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C18H21N3O5/c1-4-25-18(24)21-14-8-6-13(7-9-14)20-17(23)16(22)19-12(3)15-10-5-11(2)26-15/h5-10,12H,4H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZHBMCDBBBSRWAW-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.97
Rot. Bonds5

About ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate

ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate (PubChem CID 47043505) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
PubChem CID47043505
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Nameethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C18H21N3O5/c1-4-25-18(24)21-14-8-6-13(7-9-14)20-17(23)16(22)19-12(3)15-10-5-11(2)26-15/h5-10,12H,4H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZHBMCDBBBSRWAW-UHFFFAOYSA-N
XLogP2.97
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
CID 70396945
ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 38468933
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60724113
1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 61478923
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate (CID 47043505) is ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C(=O)NC(C)c2ccc(C)o2)cc1.
What is the InChIKey of ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate?
The InChIKey is ZHBMCDBBBSRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-25-18(24)21-14-8-6-13(7-9-14)20-17(23)16(22)19-12(3)15-10-5-11(2)26-15/h5-10,12H,4H2,1-3H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate?
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate has a molecular weight of 359.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate is sourced from PubChem (CID 47043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).