3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

C15H24N2O2 — CID 115180822

IUPAC3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCN(C)C(=O)C(O)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)13-6-4-12(5-7-13)8-9-17(3)15(19)14(18)10-16/h4-7,11,14,18H,8-10,16H2,1-3H3
InChIKeyBPGFSPLGULTPML-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.13
Rot. Bonds6

About 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 115180822) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID115180822
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCN(C)C(=O)C(O)CN)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)13-6-4-12(5-7-13)8-9-17(3)15(19)14(18)10-16/h4-7,11,14,18H,8-10,16H2,1-3H3
InChIKeyBPGFSPLGULTPML-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
CID 115192179
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-amino-2-hydroxy-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115180865
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (CID 115180822) is 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(CCN(C)C(=O)C(O)CN)cc1.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is BPGFSPLGULTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)13-6-4-12(5-7-13)8-9-17(3)15(19)14(18)10-16/h4-7,11,14,18H,8-10,16H2,1-3H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 115180822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).