1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

About 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 69121565) has the molecular formula C27H39ClN4O4 and a molecular weight of 519.09 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name	1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID	69121565
Molecular Formula	C27H39ClN4O4
Molecular Weight	519.09 g/mol
Exact Mass	518.27
IUPAC Name	1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILES	CC(C)(C)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCNCCO.Cl
InChI	InChI=1S/C27H38N4O4.ClH/c1-27(2,3)26(35)31-15-6-9-23(31)25(34)30-22(24(33)29-13-12-28-14-16-32)18-19-10-11-20-7-4-5-8-21(20)17-19;/h4-5,7-8,10-11,17,22-23,28,32H,6,9,12-16,18H2,1-3H3,(H,29,33)(H,30,34);1H/t22-,23?;/m1./s1
InChIKey	AZMJMTHYPMVONP-GCUSPBPKSA-N
XLogP	2.02
TPSA	110.77 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.09
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 69121565) is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCNCCO.Cl.

What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is AZMJMTHYPMVONP-GCUSPBPKSA-N. The full InChI is InChI=1S/C27H38N4O4.ClH/c1-27(2,3)26(35)31-15-6-9-23(31)25(34)30-22(24(33)29-13-12-28-14-16-32)18-19-10-11-20-7-4-5-8-21(20)17-19;/h4-5,7-8,10-11,17,22-23,28,32H,6,9,12-16,18H2,1-3H3,(H,29,33)(H,30,34);1H/t22-,23?;/m1./s1.

What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 519.09 g/mol, XLogP of 2.02, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[2-(2-hydroxyethylamino)ethylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 69121565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).