4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide

C14H23N3O2 — CID 63725531

IUPAC4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H23N3O2/c1-3-17-9-12(15)7-13(17)14(18)16(2)8-11-5-4-6-19-10-11/h7,9,11H,3-6,8,10,15H2,1-2H3
InChIKeyPKAFNNSNQPTUNW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.59
Rot. Bonds4

About 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 63725531) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID63725531
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C14H23N3O2/c1-3-17-9-12(15)7-13(17)14(18)16(2)8-11-5-4-6-19-10-11/h7,9,11H,3-6,8,10,15H2,1-2H3
InChIKeyPKAFNNSNQPTUNW-UHFFFAOYSA-N
XLogP1.59
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 63878701
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
4-amino-3-ethyl-N,1-dimethyl-N-(oxan-3-ylmethyl)pyrazole-5-carboxamide
CID 66119492
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide (CID 63725531) is 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)CC1CCCOC1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is PKAFNNSNQPTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-9-12(15)7-13(17)14(18)16(2)8-11-5-4-6-19-10-11/h7,9,11H,3-6,8,10,15H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 63725531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).