N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide

C16H17N3O3 — CID 136541201

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc[nH]c2C2CC2)c1
InChIInChI=1S/C16H17N3O3/c17-14(20)9-22-12-3-1-2-11(8-12)19-16(21)13-6-7-18-15(13)10-4-5-10/h1-3,6-8,10,18H,4-5,9H2,(H2,17,20)(H,19,21)
InChIKeyINKNEIREMKXFHS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.01
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide (PubChem CID 136541201) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide
PubChem CID136541201
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cc[nH]c2C2CC2)c1
InChIInChI=1S/C16H17N3O3/c17-14(20)9-22-12-3-1-2-11(8-12)19-16(21)13-6-7-18-15(13)10-4-5-10/h1-3,6-8,10,18H,4-5,9H2,(H2,17,20)(H,19,21)
InChIKeyINKNEIREMKXFHS-UHFFFAOYSA-N
XLogP2.01
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 18290394
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CID 43720269
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
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CID 119702073
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
4-(2-amino-2-oxoethoxy)-N-(3-cyclopentyloxyphenyl)benzamide
CID 36546121
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide (CID 136541201) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide is NC(=O)COc1cccc(NC(=O)c2cc[nH]c2C2CC2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide?
The InChIKey is INKNEIREMKXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-14(20)9-22-12-3-1-2-11(8-12)19-16(21)13-6-7-18-15(13)10-4-5-10/h1-3,6-8,10,18H,4-5,9H2,(H2,17,20)(H,19,21).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 136541201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).