N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine

C22H32N4O4P2 — CID 10743266

IUPACN,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)(NCCN[P@@]2(=O)O[C@H](c3ccccc3)[C@H](C)N2C)N1C
InChIInChI=1S/C22H32N4O4P2/c1-17-21(19-11-7-5-8-12-19)29-31(27,25(17)3)23-15-16-24-32(28)26(4)18(2)22(30-32)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3,(H,23,27)(H,24,28)/t17-,18-,21-,22-,31+,32+/m0/s1
InChIKeyUOLFPLRRBALVET-UUFLGARFSA-N
MW478.47 g/mol
LogP4.57
Rot. Bonds7

About N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine

N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine (PubChem CID 10743266) has the molecular formula C22H32N4O4P2 and a molecular weight of 478.47 g/mol. Its IUPAC name is N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine
PubChem CID10743266
Molecular FormulaC22H32N4O4P2
Molecular Weight478.47 g/mol
Exact Mass478.19
IUPAC NameN,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)(NCCN[P@@]2(=O)O[C@H](c3ccccc3)[C@H](C)N2C)N1C
InChIInChI=1S/C22H32N4O4P2/c1-17-21(19-11-7-5-8-12-19)29-31(27,25(17)3)23-15-16-24-32(28)26(4)18(2)22(30-32)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3,(H,23,27)(H,24,28)/t17-,18-,21-,22-,31+,32+/m0/s1
InChIKeyUOLFPLRRBALVET-UUFLGARFSA-N
XLogP4.57
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,5R)-2-benzyl-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 10756696
(4R,5S)-N,N,3,4-tetramethyl-5-phenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 58445883
(2R,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416278
(2S,4S,5R)-3,4-dimethyl-N,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23416279
(2R,4S,5R)-3,4-dimethyl-2-(5-methylhexa-1,3,4-trien-3-yl)-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 163075158
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
[(1R)-1-[(4S,5R)-3,4-dimethyl-5-phenyl-2-trimethylsilylimino-1,3,2λ5-oxazaphospholidin-2-yl]pentoxy]-trimethylsilane
CID 23004384
(4R,5S)-N,N,3-trimethyl-4,5-diphenyl-2-sulfanylidene-1,3,2λ5-oxazaphospholidin-2-amine
CID 23262175
4-methyl-5-phenyl-3-propyl-1,3-oxazolidin-2-one
CID 19370117
(4S,5S)-2-ethoxy-3,4-dimethyl-5-phenyl-1,3,2λ5-thiazaphospholidine 2-oxide
CID 23416261
4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 90152202
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine (CID 10743266) is N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine is C[C@H]1[C@@H](c2ccccc2)O[P@](=O)(NCCN[P@@]2(=O)O[C@H](c3ccccc3)[C@H](C)N2C)N1C.
What is the InChIKey of N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine?
The InChIKey is UOLFPLRRBALVET-UUFLGARFSA-N. The full InChI is InChI=1S/C22H32N4O4P2/c1-17-21(19-11-7-5-8-12-19)29-31(27,25(17)3)23-15-16-24-32(28)26(4)18(2)22(30-32)20-13-9-6-10-14-20/h5-14,17-18,21-22H,15-16H2,1-4H3,(H,23,27)(H,24,28)/t17-,18-,21-,22-,31+,32+/m0/s1.
What are the key properties of N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine?
N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine has a molecular weight of 478.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2R,4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 10743266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).