4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide

C12H17N3O4 — CID 65314150

IUPAC4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17N3O4/c13-9-3-1-8(2-4-9)12(19)14-5-11(18)15-10(6-16)7-17/h1-4,10,16-17H,5-7,13H2,(H,14,19)(H,15,18)
InChIKeyIKIDJHBZCQIQKH-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.53
Rot. Bonds6

About 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 65314150) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID65314150
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17N3O4/c13-9-3-1-8(2-4-9)12(19)14-5-11(18)15-10(6-16)7-17/h1-4,10,16-17H,5-7,13H2,(H,14,19)(H,15,18)
InChIKeyIKIDJHBZCQIQKH-UHFFFAOYSA-N
XLogP-1.53
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
CID 79193732
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
CID 106230565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide (CID 65314150) is 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide is Nc1ccc(C(=O)NCC(=O)NC(CO)CO)cc1.
What is the InChIKey of 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is IKIDJHBZCQIQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-9-3-1-8(2-4-9)12(19)14-5-11(18)15-10(6-16)7-17/h1-4,10,16-17H,5-7,13H2,(H,14,19)(H,15,18).
What are the key properties of 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 267.28 g/mol, XLogP of -1.53, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 65314150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).