N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide

C10H13NO4 — CID 168654124

IUPACN-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
SMILESO=CNc1ccc(C(O)C(O)CO)cc1
InChIInChI=1S/C10H13NO4/c12-5-9(14)10(15)7-1-3-8(4-2-7)11-6-13/h1-4,6,9-10,12,14-15H,5H2,(H,11,13)
InChIKeyASBQSBYSOLMNLH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.36
Rot. Bonds5

About N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide

N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide (PubChem CID 168654124) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
PubChem CID168654124
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
SMILESO=CNc1ccc(C(O)C(O)CO)cc1
InChIInChI=1S/C10H13NO4/c12-5-9(14)10(15)7-1-3-8(4-2-7)11-6-13/h1-4,6,9-10,12,14-15H,5H2,(H,11,13)
InChIKeyASBQSBYSOLMNLH-UHFFFAOYSA-N
XLogP-0.36
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
1-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]propane-1,2,3-triol
CID 168637818
N-[4-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
2-chloro-5-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817757
2-fluoro-4-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817775
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
N-[4-[1-(4-formamidophenyl)propyl]phenyl]acetamide
CID 59095975
4-oxo-4-[4-(1,2,3-trihydroxypropyl)phenyl]butanoic acid
CID 170818789
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide
CID 57076729

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide?
The IUPAC name of N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide (CID 168654124) is N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide.
What is the SMILES notation for N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide?
The canonical SMILES for N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide is O=CNc1ccc(C(O)C(O)CO)cc1.
What is the InChIKey of N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide?
The InChIKey is ASBQSBYSOLMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-5-9(14)10(15)7-1-3-8(4-2-7)11-6-13/h1-4,6,9-10,12,14-15H,5H2,(H,11,13).
What are the key properties of N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide?
N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide has a molecular weight of 211.22 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide is sourced from PubChem (CID 168654124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).