1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide

C15H23N3O — CID 43281467

IUPAC1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)NCc1ccccc1N1CCCC1C(N)=O
InChIInChI=1S/C15H23N3O/c1-11(2)17-10-12-6-3-4-7-13(12)18-9-5-8-14(18)15(16)19/h3-4,6-7,11,14,17H,5,8-10H2,1-2H3,(H2,16,19)
InChIKeyPFNIRPHUBFSICY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide

1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 43281467) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID43281467
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)NCc1ccccc1N1CCCC1C(N)=O
InChIInChI=1S/C15H23N3O/c1-11(2)17-10-12-6-3-4-7-13(12)18-9-5-8-14(18)15(16)19/h3-4,6-7,11,14,17H,5,8-10H2,1-2H3,(H2,16,19)
InChIKeyPFNIRPHUBFSICY-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide (CID 43281467) is 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide is CC(C)NCc1ccccc1N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is PFNIRPHUBFSICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-10-12-6-3-4-7-13(12)18-9-5-8-14(18)15(16)19/h3-4,6-7,11,14,17H,5,8-10H2,1-2H3,(H2,16,19).
What are the key properties of 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43281467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).