N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide

C25H28N2O — CID 102378316

IUPACN-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
SMILESCCC(=O)N(c1ccccc1N[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-4-25(28)27(20(3)22-15-9-6-10-16-22)24-18-12-11-17-23(24)26-19(2)21-13-7-5-8-14-21/h5-20,26H,4H2,1-3H3/t19-,20-/m0/s1
InChIKeyLLSYCRNXYDJSCE-PMACEKPBSA-N
MW372.51 g/mol
LogP6.36
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide

N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide (PubChem CID 102378316) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
PubChem CID102378316
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
SMILESCCC(=O)N(c1ccccc1N[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-4-25(28)27(20(3)22-15-9-6-10-16-22)24-18-12-11-17-23(24)26-19(2)21-13-7-5-8-14-21/h5-20,26H,4H2,1-3H3/t19-,20-/m0/s1
InChIKeyLLSYCRNXYDJSCE-PMACEKPBSA-N
XLogP6.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide with MolForge

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Related Compounds

N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
ethyl 3-bromo-4-(1-phenylethylamino)benzoate
CID 43684354
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
3-[butan-2-yl(propanoyl)amino]-N-(1-phenylethyl)propanamide
CID 42699063
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide (CID 102378316) is N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide is CCC(=O)N(c1ccccc1N[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
The InChIKey is LLSYCRNXYDJSCE-PMACEKPBSA-N. The full InChI is InChI=1S/C25H28N2O/c1-4-25(28)27(20(3)22-15-9-6-10-16-22)24-18-12-11-17-23(24)26-19(2)21-13-7-5-8-14-21/h5-20,26H,4H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide?
N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide has a molecular weight of 372.51 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-[2-[[(1S)-1-phenylethyl]amino]phenyl]propanamide is sourced from PubChem (CID 102378316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).