2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide

C15H24N2O2 — CID 115180083

IUPAC2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)C)cc1CCNC(=O)C(N)CO
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-4-11(3)13(8-12)6-7-17-15(19)14(16)9-18/h4-5,8,10,14,18H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyXPXOLIFHMFABCH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.10
Rot. Bonds6

About 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide

2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 115180083) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
PubChem CID115180083
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)C)cc1CCNC(=O)C(N)CO
InChIInChI=1S/C15H24N2O2/c1-10(2)12-5-4-11(3)13(8-12)6-7-17-15(19)14(16)9-18/h4-5,8,10,14,18H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyXPXOLIFHMFABCH-UHFFFAOYSA-N
XLogP1.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540
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CID 115180111
2-(diethylamino)-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 21127305
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
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2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
CID 115204032
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
2-amino-3-hydroxy-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115179916
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
(E)-4-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]but-2-enoic acid
CID 115237295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide (CID 115180083) is 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide is Cc1ccc(C(C)C)cc1CCNC(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is XPXOLIFHMFABCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)12-5-4-11(3)13(8-12)6-7-17-15(19)14(16)9-18/h4-5,8,10,14,18H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide?
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 115180083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).