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

C14H25N3O — CID 66403930

IUPACN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)NCc1ccn(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)15-8-12-6-7-17(9-12)10-13(18)16-14(3,4)5/h6-7,9,11,15H,8,10H2,1-5H3,(H,16,18)
InChIKeyZQTMLWURLLYEMO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.90
Rot. Bonds5

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

N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66403930) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66403930
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCC(C)NCc1ccn(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-11(2)15-8-12-6-7-17(9-12)10-13(18)16-14(3,4)5/h6-7,9,11,15H,8,10H2,1-5H3,(H,16,18)
InChIKeyZQTMLWURLLYEMO-UHFFFAOYSA-N
XLogP1.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66406984
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788
N-methyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66404281
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098481
N-[[1-[(2-nitrophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404333

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (CID 66403930) is N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is CC(C)NCc1ccn(CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is ZQTMLWURLLYEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)15-8-12-6-7-17(9-12)10-13(18)16-14(3,4)5/h6-7,9,11,15H,8,10H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66403930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).