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

C14H23N3O — CID 79101870

IUPACN-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCNC(C)c1cccn1CC(=O)NCC1CC1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)13-5-4-8-17(13)10-14(18)16-9-12-6-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyAXDORQYMVZJHSB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.68
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79101870) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79101870
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCNC(C)c1cccn1CC(=O)NCC1CC1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)13-5-4-8-17(13)10-14(18)16-9-12-6-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,16,18)
InChIKeyAXDORQYMVZJHSB-UHFFFAOYSA-N
XLogP1.68
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 79102465
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79102262
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79108513
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
CID 79619831
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-(2-methoxyethyl)-2-[2-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102745

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide (CID 79101870) is N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide is CCNC(C)c1cccn1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is AXDORQYMVZJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-11(2)13-5-4-8-17(13)10-14(18)16-9-12-6-7-12/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.68, 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-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79101870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).