3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide

C14H21N3O2 — CID 62877996

IUPAC3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)12(8-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyNHGZMTOZXIVRSU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.45
Rot. Bonds6

About 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide

3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide (PubChem CID 62877996) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
PubChem CID62877996
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)12(8-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyNHGZMTOZXIVRSU-UHFFFAOYSA-N
XLogP0.45
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
2-[(2-amino-1-phenylethyl)-(2-methylpropyl)amino]acetamide
CID 55017214
2-methylpropyl 3-amino-2-phenylpropanoate
CID 62876752
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 62878721
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide (CID 62877996) is 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide is CC(C)N(CC(N)=O)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide?
The InChIKey is NHGZMTOZXIVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)17(9-13(16)18)14(19)12(8-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide?
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 62877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).