N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide

C15H27N3O — CID 66403928

IUPACN-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCCC(C)NC(=O)Cn1ccc(CNC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-6-13(4)17-15(19)11-18-8-7-14(10-18)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeySMZNIXPJXYAGOZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds8

About N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide

N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66403928) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66403928
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCCC(C)NC(=O)Cn1ccc(CNC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-6-13(4)17-15(19)11-18-8-7-14(10-18)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeySMZNIXPJXYAGOZ-UHFFFAOYSA-N
XLogP2.29
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (CID 66403928) is N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is CCCC(C)NC(=O)Cn1ccc(CNC(C)C)c1.
What is the InChIKey of N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is SMZNIXPJXYAGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-6-13(4)17-15(19)11-18-8-7-14(10-18)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66403928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).