N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide

C14H20N2O4 — CID 115950038

IUPACN-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
SMILESCC(C)OCC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-9-13(18)16-12-5-3-11(4-6-12)14(19)15-7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyLWVNSQVOXRJGTI-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.77
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide

N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide (PubChem CID 115950038) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
PubChem CID115950038
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
SMILESCC(C)OCC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-9-13(18)16-12-5-3-11(4-6-12)14(19)15-7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyLWVNSQVOXRJGTI-UHFFFAOYSA-N
XLogP0.77
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
CID 107908924
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide (CID 115950038) is N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide is CC(C)OCC(=O)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide?
The InChIKey is LWVNSQVOXRJGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)20-9-13(18)16-12-5-3-11(4-6-12)14(19)15-7-8-17/h3-6,10,17H,7-9H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide?
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide is sourced from PubChem (CID 115950038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).