2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C14H20N2O4 — CID 115670745

IUPAC2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)NC(C)C)c1O
InChIInChI=1S/C14H20N2O4/c1-9(2)16-12(17)7-8-15-14(19)10-5-4-6-11(20-3)13(10)18/h4-6,9,18H,7-8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyBCYNKLJLEGZXDY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.05
Rot. Bonds6

About 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 115670745) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID115670745
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)NC(C)C)c1O
InChIInChI=1S/C14H20N2O4/c1-9(2)16-12(17)7-8-15-14(19)10-5-4-6-11(20-3)13(10)18/h4-6,9,18H,7-8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyBCYNKLJLEGZXDY-UHFFFAOYSA-N
XLogP1.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
2-hydroxy-3-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115598366
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 115670745) is 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is COc1cccc(C(=O)NCCC(=O)NC(C)C)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is BCYNKLJLEGZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)16-12(17)7-8-15-14(19)10-5-4-6-11(20-3)13(10)18/h4-6,9,18H,7-8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 115670745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).