N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide

C12H21N3O — CID 110688672

IUPACN-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
SMILESCN(C)CCCNC(=O)CCn1cccc1
InChIInChI=1S/C12H21N3O/c1-14(2)8-5-7-13-12(16)6-11-15-9-3-4-10-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,13,16)
InChIKeyGFOXMPBYCHBXBF-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.95
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide

N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide (PubChem CID 110688672) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
PubChem CID110688672
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
SMILESCN(C)CCCNC(=O)CCn1cccc1
InChIInChI=1S/C12H21N3O/c1-14(2)8-5-7-13-12(16)6-11-15-9-3-4-10-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,13,16)
InChIKeyGFOXMPBYCHBXBF-UHFFFAOYSA-N
XLogP0.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
(2R)-N-[2-(dimethylamino)ethyl]-3-[[(2R)-3-[2-(dimethylamino)ethylamino]-3-oxo-2-(3-pyrrol-1-ylpropanoylamino)propyl]disulfanyl]-2-(3-pyrrol-1-ylpropanoylamino)propanamide
CID 101038483
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
CID 103846233
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
CID 110408260
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide (CID 110688672) is N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide is CN(C)CCCNC(=O)CCn1cccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is GFOXMPBYCHBXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(2)8-5-7-13-12(16)6-11-15-9-3-4-10-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide?
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 110688672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).