ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate

C15H17N3O3 — CID 43042123

IUPACethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)17-16-14(19)12-7-6-11(2)13(10-12)18-8-4-5-9-18/h4-10H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYUDUOLSXQOUPIX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.18
Rot. Bonds3

About ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate

ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate (PubChem CID 43042123) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
PubChem CID43042123
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)17-16-14(19)12-7-6-11(2)13(10-12)18-8-4-5-9-18/h4-10H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYUDUOLSXQOUPIX-UHFFFAOYSA-N
XLogP2.18
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166914

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate?
The IUPAC name of ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate (CID 43042123) is ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate?
The canonical SMILES for ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate is CCOC(=O)NNC(=O)c1ccc(C)c(-n2cccc2)c1.
What is the InChIKey of ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate?
The InChIKey is YUDUOLSXQOUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)17-16-14(19)12-7-6-11(2)13(10-12)18-8-4-5-9-18/h4-10H,3H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate?
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate is sourced from PubChem (CID 43042123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).