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

C12H21N3O — CID 66401597

IUPACN-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCNC(=O)Cn1cccc1CNC(C)C
InChIInChI=1S/C12H21N3O/c1-4-13-12(16)9-15-7-5-6-11(15)8-14-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,13,16)
InChIKeyLPENYOIESOCWCR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds6

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

N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (PubChem CID 66401597) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
PubChem CID66401597
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
SMILESCCNC(=O)Cn1cccc1CNC(C)C
InChIInChI=1S/C12H21N3O/c1-4-13-12(16)9-15-7-5-6-11(15)8-14-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,13,16)
InChIKeyLPENYOIESOCWCR-UHFFFAOYSA-N
XLogP1.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66402131
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
2-[2-(hydroxymethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66399323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide (CID 66401597) is N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is CCNC(=O)Cn1cccc1CNC(C)C.
What is the InChIKey of N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
The InChIKey is LPENYOIESOCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-13-12(16)9-15-7-5-6-11(15)8-14-10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide?
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 66401597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).