N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide

C22H29N3O2 — CID 94336143

IUPACN-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCN(CC)CCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-25(4-2)16-15-23-21(26)17-20(18-11-7-5-8-12-18)24-22(27)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyDZVFYEFPBMIMHX-FQEVSTJZSA-N
MW367.49 g/mol
LogP3.01
Rot. Bonds10

About N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 94336143) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID94336143
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCCN(CC)CCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-25(4-2)16-15-23-21(26)17-20(18-11-7-5-8-12-18)24-22(27)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyDZVFYEFPBMIMHX-FQEVSTJZSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
3-[2-[(3-benzamido-3-phenylpropanoyl)amino]ethyl]benzoic acid
CID 166201872
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide (CID 94336143) is N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide is CCN(CC)CCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is DZVFYEFPBMIMHX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-25(4-2)16-15-23-21(26)17-20(18-11-7-5-8-12-18)24-22(27)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 94336143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).