N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C18H26N2O — CID 11687843

IUPACN-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2O/c1-13(2)18(21)20(16-9-10-19-11-16)12-15-5-3-4-6-17(15)14-7-8-14/h3-6,13-14,16,19H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyPXHGECKMKPJNDM-INIZCTEOSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11687843) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11687843
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2O/c1-13(2)18(21)20(16-9-10-19-11-16)12-15-5-3-4-6-17(15)14-7-8-14/h3-6,13-14,16,19H,7-12H2,1-2H3/t16-/m0/s1
InChIKeyPXHGECKMKPJNDM-INIZCTEOSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11687843) is N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is PXHGECKMKPJNDM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)18(21)20(16-9-10-19-11-16)12-15-5-3-4-6-17(15)14-7-8-14/h3-6,13-14,16,19H,7-12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 286.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11687843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).