N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide

C16H25N3O — CID 60717546

IUPACN-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-19(14-8-4-3-5-9-14)13-7-12-18-16(20)15-10-6-11-17-15/h3-5,8-9,15,17H,2,6-7,10-13H2,1H3,(H,18,20)
InChIKeyKMBBDVOOLONWTK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.77
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide

N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide (PubChem CID 60717546) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
PubChem CID60717546
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-19(14-8-4-3-5-9-14)13-7-12-18-16(20)15-10-6-11-17-15/h3-5,8-9,15,17H,2,6-7,10-13H2,1H3,(H,18,20)
InChIKeyKMBBDVOOLONWTK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide (CID 60717546) is N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide is CCN(CCCNC(=O)C1CCCN1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide?
The InChIKey is KMBBDVOOLONWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(14-8-4-3-5-9-14)13-7-12-18-16(20)15-10-6-11-17-15/h3-5,8-9,15,17H,2,6-7,10-13H2,1H3,(H,18,20).
What are the key properties of N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide?
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.77, 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-2-carboxamide is sourced from PubChem (CID 60717546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).