N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

C13H21N3O — CID 66402341

IUPACN-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NCC1CC1
InChIInChI=1S/C13H21N3O/c1-2-14-9-12-4-3-7-16(12)10-13(17)15-8-11-5-6-11/h3-4,7,11,14H,2,5-6,8-10H2,1H3,(H,15,17)
InChIKeyMBZMLRHRLZRCMO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66402341) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66402341
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)NCC1CC1
InChIInChI=1S/C13H21N3O/c1-2-14-9-12-4-3-7-16(12)10-13(17)15-8-11-5-6-11/h3-4,7,11,14H,2,5-6,8-10H2,1H3,(H,15,17)
InChIKeyMBZMLRHRLZRCMO-UHFFFAOYSA-N
XLogP1.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101870
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66403516
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66401569
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402352

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66402341) is N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1cccn1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is MBZMLRHRLZRCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-14-9-12-4-3-7-16(12)10-13(17)15-8-11-5-6-11/h3-4,7,11,14H,2,5-6,8-10H2,1H3,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66402341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).