N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide

C16H25N3O2 — CID 119885879

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)9-4-10-21-15-6-3-5-14(11-15)18-16(20)13-7-8-17-12-13/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyMVNRACGZBQWHHD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.57
Rot. Bonds7

About N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide

N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 119885879) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID119885879
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)9-4-10-21-15-6-3-5-14(11-15)18-16(20)13-7-8-17-12-13/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyMVNRACGZBQWHHD-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715447
N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119885815
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide (CID 119885879) is N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide is CN(C)CCCOc1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MVNRACGZBQWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)9-4-10-21-15-6-3-5-14(11-15)18-16(20)13-7-8-17-12-13/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide?
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119885879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).