(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide

C21H34N2O3 — CID 100737524

IUPAC(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C21H34N2O3/c1-4-16-26-21(3,5-2)20(24)22-18-9-11-19(12-10-18)25-17-8-15-23-13-6-7-14-23/h9-12H,4-8,13-17H2,1-3H3,(H,22,24)/t21-/m1/s1
InChIKeyNHNZBRNNZCAJTN-OAQYLSRUSA-N
MW362.51 g/mol
LogP4.09
Rot. Bonds11

About (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide

(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide (PubChem CID 100737524) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
PubChem CID100737524
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C21H34N2O3/c1-4-16-26-21(3,5-2)20(24)22-18-9-11-19(12-10-18)25-17-8-15-23-13-6-7-14-23/h9-12H,4-8,13-17H2,1-3H3,(H,22,24)/t21-/m1/s1
InChIKeyNHNZBRNNZCAJTN-OAQYLSRUSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide?
The IUPAC name of (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide (CID 100737524) is (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide.
What is the SMILES notation for (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide?
The canonical SMILES for (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide is CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide?
The InChIKey is NHNZBRNNZCAJTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-16-26-21(3,5-2)20(24)22-18-9-11-19(12-10-18)25-17-8-15-23-13-6-7-14-23/h9-12H,4-8,13-17H2,1-3H3,(H,22,24)/t21-/m1/s1.
What are the key properties of (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide?
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide has a molecular weight of 362.51 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide is sourced from PubChem (CID 100737524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).