N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide

C18H21N3O2 — CID 54820849

IUPACN-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-19-13-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-2-4-6-14/h2-6,8-11,19H,7,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyYONIZYDAVLPGQM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.42
Rot. Bonds7

About N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54820849) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54820849
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-19-13-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-2-4-6-14/h2-6,8-11,19H,7,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyYONIZYDAVLPGQM-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54820849) is N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide is CNCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is YONIZYDAVLPGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-19-13-18(23)21-16-10-8-15(9-11-16)20-17(22)12-7-14-5-3-2-4-6-14/h2-6,8-11,19H,7,12-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54820849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).