N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane

C24H34N2O — CID 158890977

IUPACN-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane
SMILESCCC.CN(C(=O)CCc1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O.C3H8/c1-22(20(24)15-14-18-10-4-2-5-11-18)21(23-16-8-9-17-23)19-12-6-3-7-13-19;1-3-2/h2-7,10-13,21H,8-9,14-17H2,1H3;3H2,1-2H3/t21-;/m1./s1
InChIKeyJEFQTQYWDVCLGR-ZMBIFBSDSA-N
MW366.55 g/mol
LogP5.29
Rot. Bonds6

About N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane

N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane (PubChem CID 158890977) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane
PubChem CID158890977
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane
SMILESCCC.CN(C(=O)CCc1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O.C3H8/c1-22(20(24)15-14-18-10-4-2-5-11-18)21(23-16-8-9-17-23)19-12-6-3-7-13-19;1-3-2/h2-7,10-13,21H,8-9,14-17H2,1H3;3H2,1-2H3/t21-;/m1./s1
InChIKeyJEFQTQYWDVCLGR-ZMBIFBSDSA-N
XLogP5.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane?
The IUPAC name of N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane (CID 158890977) is N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane.
What is the SMILES notation for N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane?
The canonical SMILES for N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane is CCC.CN(C(=O)CCc1ccccc1)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane?
The InChIKey is JEFQTQYWDVCLGR-ZMBIFBSDSA-N. The full InChI is InChI=1S/C21H26N2O.C3H8/c1-22(20(24)15-14-18-10-4-2-5-11-18)21(23-16-8-9-17-23)19-12-6-3-7-13-19;1-3-2/h2-7,10-13,21H,8-9,14-17H2,1H3;3H2,1-2H3/t21-;/m1./s1.
What are the key properties of N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane?
N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane has a molecular weight of 366.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane is sourced from PubChem (CID 158890977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).