N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide

C13H19N3O3 — CID 106177055

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8(2)16-10-6-4-3-5-9(10)13(19)15-7-11(17)12(14)18/h3-6,8,11,16-17H,7H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyQKIOJXKFAQJYOT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.08
Rot. Bonds6

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide (PubChem CID 106177055) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
PubChem CID106177055
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C13H19N3O3/c1-8(2)16-10-6-4-3-5-9(10)13(19)15-7-11(17)12(14)18/h3-6,8,11,16-17H,7H2,1-2H3,(H2,14,18)(H,15,19)
InChIKeyQKIOJXKFAQJYOT-UHFFFAOYSA-N
XLogP0.08
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide (CID 106177055) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is QKIOJXKFAQJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16-10-6-4-3-5-9(10)13(19)15-7-11(17)12(14)18/h3-6,8,11,16-17H,7H2,1-2H3,(H2,14,18)(H,15,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 106177055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).