(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride

C29H36ClN5O2 — CID 141009397

About (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride

(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride (PubChem CID 141009397) has the molecular formula C29H36ClN5O2 and a molecular weight of 522.09 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride
• PubChem CID: 141009397
• Molecular Formula: C29H36ClN5O2
• Molecular Weight: 522.09 g/mol
• Exact Mass: 521.26
• IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride
• SMILES: CC(C)(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C29H35N5O2.ClH/c1-29(2,23-17-10-5-11-18-23)34-26(35)24(19-12-20-32-28(30)31)33-27(36)25(21-13-6-3-7-14-21)22-15-8-4-9-16-22;/h3-11,13-18,24-25H,12,19-20H2,1-2H3,(H,33,36)(H,34,35)(H4,30,31,32);1H/t24-;/m1./s1
• InChIKey: NGOXDDDKEBRDLI-GJFSDDNBSA-N
• XLogP: 3.83
• TPSA: 122.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.09
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride?

The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride (CID 141009397) is (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride.

What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride?

The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride is CC(C)(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.Cl.

What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride?

The InChIKey is NGOXDDDKEBRDLI-GJFSDDNBSA-N. The full InChI is InChI=1S/C29H35N5O2.ClH/c1-29(2,23-17-10-5-11-18-23)34-26(35)24(19-12-20-32-28(30)31)33-27(36)25(21-13-6-3-7-14-21)22-15-8-4-9-16-22;/h3-11,13-18,24-25H,12,19-20H2,1-2H3,(H,33,36)(H,34,35)(H4,30,31,32);1H/t24-;/m1./s1.

What are the key properties of (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride?

(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride has a molecular weight of 522.09 g/mol, XLogP of 3.83, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-(2-phenylpropan-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 141009397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).