N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide

C16H29N3O — CID 79097566

IUPACN-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(c1ccn(CC(=O)N(C)CC)c1)C(C)C
InChIInChI=1S/C16H29N3O/c1-6-9-17-16(13(3)4)14-8-10-19(11-14)12-15(20)18(5)7-2/h8,10-11,13,16-17H,6-7,9,12H2,1-5H3
InChIKeyZFZFPLZGDJWWBW-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide

N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79097566) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79097566
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(c1ccn(CC(=O)N(C)CC)c1)C(C)C
InChIInChI=1S/C16H29N3O/c1-6-9-17-16(13(3)4)14-8-10-19(11-14)12-15(20)18(5)7-2/h8,10-11,13,16-17H,6-7,9,12H2,1-5H3
InChIKeyZFZFPLZGDJWWBW-UHFFFAOYSA-N
XLogP2.66
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide (CID 79097566) is N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide is CCCNC(c1ccn(CC(=O)N(C)CC)c1)C(C)C.
What is the InChIKey of N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is ZFZFPLZGDJWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-9-17-16(13(3)4)14-8-10-19(11-14)12-15(20)18(5)7-2/h8,10-11,13,16-17H,6-7,9,12H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79097566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).