N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride

C20H26ClN3O2 — CID 120654480

IUPACN-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(NC(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-21-15(2)14-22-20(25)18(16-10-6-4-7-11-16)23-19(24)17-12-8-5-9-13-17;/h4-13,15,18,21H,3,14H2,1-2H3,(H,22,25)(H,23,24);1H/t15-,18?;/m1./s1
InChIKeyCCBVVASECGBICZ-BARLLYERSA-N
MW375.90 g/mol
LogP2.69
Rot. Bonds8

About N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride

N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride (PubChem CID 120654480) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
PubChem CID120654480
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(NC(=O)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-21-15(2)14-22-20(25)18(16-10-6-4-7-11-16)23-19(24)17-12-8-5-9-13-17;/h4-13,15,18,21H,3,14H2,1-2H3,(H,22,25)(H,23,24);1H/t15-,18?;/m1./s1
InChIKeyCCBVVASECGBICZ-BARLLYERSA-N
XLogP2.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
N-[(2R)-2-(ethylamino)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide;dihydrochloride
CID 120654368
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741
4-benzylsulfanyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120652660
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride (CID 120654480) is N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)C(NC(=O)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
The InChIKey is CCBVVASECGBICZ-BARLLYERSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-21-15(2)14-22-20(25)18(16-10-6-4-7-11-16)23-19(24)17-12-8-5-9-13-17;/h4-13,15,18,21H,3,14H2,1-2H3,(H,22,25)(H,23,24);1H/t15-,18?;/m1./s1.
What are the key properties of N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride?
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride is sourced from PubChem (CID 120654480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).