N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C17H25N3O3 — CID 119286258

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C17H25N3O3/c1-2-23-11-5-10-19-16(21)13-6-3-7-14(12-13)20-17(22)15-8-4-9-18-15/h3,6-7,12,15,18H,2,4-5,8-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWMBAEALAZQWNQV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.53
Rot. Bonds8

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119286258) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119286258
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C17H25N3O3/c1-2-23-11-5-10-19-16(21)13-6-3-7-14(12-13)20-17(22)15-8-4-9-18-15/h3,6-7,12,15,18H,2,4-5,8-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWMBAEALAZQWNQV-UHFFFAOYSA-N
XLogP1.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286246
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119318163
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717787
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 119286258) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WMBAEALAZQWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-11-5-10-19-16(21)13-6-3-7-14(12-13)20-17(22)15-8-4-9-18-15/h3,6-7,12,15,18H,2,4-5,8-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119286258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).