N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide

C15H23N3O2 — CID 61213602

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cccc(CN(C)C)c2)C1
InChIInChI=1S/C15H23N3O2/c1-18(2)10-11-5-4-6-12(7-11)17-15(19)14-8-13(20-3)9-16-14/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyRECGLPPJBNKSFG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.06
Rot. Bonds5

About N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213602) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213602
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cccc(CN(C)C)c2)C1
InChIInChI=1S/C15H23N3O2/c1-18(2)10-11-5-4-6-12(7-11)17-15(19)14-8-13(20-3)9-16-14/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyRECGLPPJBNKSFG-UHFFFAOYSA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
methyl 3-[[3-[(4-hydroxypyrrolidine-2-carbonyl)amino]phenyl]methylsulfanyl]propanoate
CID 119775589
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide (CID 61213602) is N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cccc(CN(C)C)c2)C1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is RECGLPPJBNKSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)10-11-5-4-6-12(7-11)17-15(19)14-8-13(20-3)9-16-14/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).