2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide

C16H26N2O2 — CID 60692471

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CN(CCO)C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)18(9-10-19)11-16(20)17-14(4)15-8-6-5-7-13(15)3/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyCFXGXMVVPWFSKL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds7

About 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide

2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 60692471) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID60692471
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CN(CCO)C(C)C
InChIInChI=1S/C16H26N2O2/c1-12(2)18(9-10-19)11-16(20)17-14(4)15-8-6-5-7-13(15)3/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20)
InChIKeyCFXGXMVVPWFSKL-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-(4-hydroxybutan-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 66135892
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81379898
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide (CID 60692471) is 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(C)NC(=O)CN(CCO)C(C)C.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is CFXGXMVVPWFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18(9-10-19)11-16(20)17-14(4)15-8-6-5-7-13(15)3/h5-8,12,14,19H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide?
2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 60692471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).