4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C12H17N3O5 — CID 107846638

IUPAC4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C12H17N3O5/c13-11(20)14-9-3-1-8(2-4-9)10(19)15-12(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,15,19)(H3,13,14,20)
InChIKeyFRJLVTVYPINFTF-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.38
Rot. Bonds6

About 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 107846638) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID107846638
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C12H17N3O5/c13-11(20)14-9-3-1-8(2-4-9)10(19)15-12(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,15,19)(H3,13,14,20)
InChIKeyFRJLVTVYPINFTF-UHFFFAOYSA-N
XLogP-1.38
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
4-(carbamoylamino)-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115969000
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
4-(carbamoylamino)-N-(2-methylpropyl)benzamide
CID 47106060
4-azido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 122365448
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 107846638) is 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is NC(=O)Nc1ccc(C(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is FRJLVTVYPINFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c13-11(20)14-9-3-1-8(2-4-9)10(19)15-12(5-16,6-17)7-18/h1-4,16-18H,5-7H2,(H,15,19)(H3,13,14,20).
What are the key properties of 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 283.28 g/mol, XLogP of -1.38, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 107846638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).