N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide

C16H25N3O — CID 63005189

IUPACN-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-19(15-7-4-3-5-8-15)12-6-10-18-16(20)14-9-11-17-13-14/h3-5,7-8,14,17H,2,6,9-13H2,1H3,(H,18,20)
InChIKeyIDFTUFKUSJAQOA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide

N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide (PubChem CID 63005189) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
PubChem CID63005189
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCNC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-19(15-7-4-3-5-8-15)12-6-10-18-16(20)14-9-11-17-13-14/h3-5,7-8,14,17H,2,6,9-13H2,1H3,(H,18,20)
InChIKeyIDFTUFKUSJAQOA-UHFFFAOYSA-N
XLogP1.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
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-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
N-[2-[[N-ethyl-N'-[3-(N-ethylanilino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111390111
3-(N-ethylanilino)propylurea
CID 112708177
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide (CID 63005189) is N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide is CCN(CCCNC(=O)C1CCNC1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide?
The InChIKey is IDFTUFKUSJAQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(15-7-4-3-5-8-15)12-6-10-18-16(20)14-9-11-17-13-14/h3-5,7-8,14,17H,2,6,9-13H2,1H3,(H,18,20).
What are the key properties of N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide?
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).