N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide

C15H22N2O2 — CID 60568058

IUPACN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12-6-5-7-14(10-12)19-11-13(2)16-15(18)17-8-3-4-9-17/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyBUXXVAAIVWMUHW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds4

About N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 60568058) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID60568058
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12-6-5-7-14(10-12)19-11-13(2)16-15(18)17-8-3-4-9-17/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyBUXXVAAIVWMUHW-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52738130
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 111428052
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
CID 86828499
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[1-(3-methylphenoxy)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 86828412

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide (CID 60568058) is N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide is Cc1cccc(OCC(C)NC(=O)N2CCCC2)c1.
What is the InChIKey of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is BUXXVAAIVWMUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-6-5-7-14(10-12)19-11-13(2)16-15(18)17-8-3-4-9-17/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60568058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).