4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide

C11H15N3O4 — CID 171899571

IUPAC4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H15N3O4/c12-9(16)5-8(15)10(17)6-1-3-7(4-2-6)14-11(13)18/h1-4,8,10,15,17H,5H2,(H2,12,16)(H3,13,14,18)
InChIKeyQVEHFUAYCGLTDP-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.55
Rot. Bonds5

About 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide

4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide (PubChem CID 171899571) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
PubChem CID171899571
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C11H15N3O4/c12-9(16)5-8(15)10(17)6-1-3-7(4-2-6)14-11(13)18/h1-4,8,10,15,17H,5H2,(H2,12,16)(H3,13,14,18)
InChIKeyQVEHFUAYCGLTDP-UHFFFAOYSA-N
XLogP-0.55
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromo-1,2-dihydroxypropyl)phenyl]urea
CID 171860379
ethyl 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanoate
CID 171897779
[4-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]urea
CID 171874489
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(carbamothioylamino)phenyl]-3,4-dihydroxybutanoic acid
CID 171878043
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
2-[4-(4-amino-1,2-dihydroxy-4-oxobutyl)phenoxy]acetic acid
CID 171899789

Frequently Asked Questions

What is the IUPAC name of 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide (CID 171899571) is 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide?
The InChIKey is QVEHFUAYCGLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-9(16)5-8(15)10(17)6-1-3-7(4-2-6)14-11(13)18/h1-4,8,10,15,17H,5H2,(H2,12,16)(H3,13,14,18).
What are the key properties of 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide?
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide has a molecular weight of 253.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).