N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide

C30H36N2O4 — CID 71770780

IUPACN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide
SMILESO=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C30H36N2O4/c33-22-26-29(36)27(34)21-32(26)19-11-10-18-31-28(35)20-30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29,33-34,36H,10-11,18-22H2,(H,31,35)/t26-,27-,29-/m1/s1
InChIKeyDIMGPKMQYVZKOK-LSMIHOHGSA-N
MW488.63 g/mol
LogP2.71
Rot. Bonds11

About N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide

N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide (PubChem CID 71770780) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide
PubChem CID71770780
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide
SMILESO=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C30H36N2O4/c33-22-26-29(36)27(34)21-32(26)19-11-10-18-31-28(35)20-30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29,33-34,36H,10-11,18-22H2,(H,31,35)/t26-,27-,29-/m1/s1
InChIKeyDIMGPKMQYVZKOK-LSMIHOHGSA-N
XLogP2.71
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 71770661
CID 71770661
CID 118718743
CID 118718743
CID 71770782
CID 71770782
CID 164614314
CID 164614314
CID 71770779
CID 71770779
CID 71770781
CID 71770781
CID 71770783
CID 71770783
CID 71770903
CID 71770903
CID 137631341
CID 137631341
CID 137632246
CID 137632246
CID 177375038
CID 177375038
CID 618197
CID 618197

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide?
The IUPAC name of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide (CID 71770780) is N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide?
The canonical SMILES for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide is O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide?
The InChIKey is DIMGPKMQYVZKOK-LSMIHOHGSA-N. The full InChI is InChI=1S/C30H36N2O4/c33-22-26-29(36)27(34)21-32(26)19-11-10-18-31-28(35)20-30(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29,33-34,36H,10-11,18-22H2,(H,31,35)/t26-,27-,29-/m1/s1.
What are the key properties of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide?
N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide has a molecular weight of 488.63 g/mol, XLogP of 2.71, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3,3,3-triphenylpropanamide is sourced from PubChem (CID 71770780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).