benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium

C19H25N2O+ — CID 9445876

IUPACbenzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
SMILESCCCNC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-3-14-20-19(22)15(2)21-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeySSRRKSUHQGUIJC-OAHLLOKOSA-O
MW297.42 g/mol
LogP2.25
Rot. Bonds7

About benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium

benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium (PubChem CID 9445876) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
PubChem CID9445876
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Namebenzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
SMILESCCCNC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-3-14-20-19(22)15(2)21-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1
InChIKeySSRRKSUHQGUIJC-OAHLLOKOSA-O
XLogP2.25
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
benzhydryl-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 9445898
[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830727
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8830749
N-butyl-2-phenylpropanamide
CID 101453557
[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8774591
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
benzhydryl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8596519
3,3-diphenyl-N-propylpropanamide
CID 4638647
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium?
The IUPAC name of benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium (CID 9445876) is benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium.
What is the SMILES notation for benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium?
The canonical SMILES for benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium is CCCNC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium?
The InChIKey is SSRRKSUHQGUIJC-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H24N2O/c1-3-14-20-19(22)15(2)21-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,21H,3,14H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1.
What are the key properties of benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium?
benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium has a molecular weight of 297.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium is sourced from PubChem (CID 9445876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).