(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide

C33H32N4O4 — CID 135912300

IUPAC(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide
SMILESCON(C)C(=O)C(=[N+]=[N-])C(=O)[C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32N4O4/c1-37(40-2)32(39)30(36-34)31(38)29(24-41-23-25-15-7-3-8-16-25)35-33(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29,35H,23-24H2,1-2H3/t29-/m0/s1
InChIKeyBCMADHMHTWVVPB-LJAQVGFWSA-N
MW548.64 g/mol
LogP4.41
Rot. Bonds13

About (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide

(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide (PubChem CID 135912300) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide.

Molecular Properties

Compound Name(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide
PubChem CID135912300
Molecular FormulaC33H32N4O4
Molecular Weight548.64 g/mol
Exact Mass548.24
IUPAC Name(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide
SMILESCON(C)C(=O)C(=[N+]=[N-])C(=O)[C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32N4O4/c1-37(40-2)32(39)30(36-34)31(38)29(24-41-23-25-15-7-3-8-16-25)35-33(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29,35H,23-24H2,1-2H3/t29-/m0/s1
InChIKeyBCMADHMHTWVVPB-LJAQVGFWSA-N
XLogP4.41
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide 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

(4S)-N-benzyl-2-diazo-3-oxo-N-phenyl-5-phenylmethoxy-4-(tritylamino)pentanamide
CID 137300457
(4S)-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide
CID 46932771
methyl (4R)-2-diazo-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanoate
CID 135912301

Frequently Asked Questions

What is the IUPAC name of (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide?
The IUPAC name of (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide (CID 135912300) is (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide.
What is the SMILES notation for (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide?
The canonical SMILES for (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide is CON(C)C(=O)C(=[N+]=[N-])C(=O)[C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide?
The InChIKey is BCMADHMHTWVVPB-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H32N4O4/c1-37(40-2)32(39)30(36-34)31(38)29(24-41-23-25-15-7-3-8-16-25)35-33(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29,35H,23-24H2,1-2H3/t29-/m0/s1.
What are the key properties of (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide?
(4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide has a molecular weight of 548.64 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-diazo-N-methoxy-N-methyl-3-oxo-5-phenylmethoxy-4-(tritylamino)pentanamide is sourced from PubChem (CID 135912300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).