N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide

C14H22N2O3 — CID 57076729

IUPACN-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide
SMILESCC(CC(O)CN)CC(O)c1ccc(NC=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(6-13(18)8-15)7-14(19)11-2-4-12(5-3-11)16-9-17/h2-5,9-10,13-14,18-19H,6-8,15H2,1H3,(H,16,17)
InChIKeyGKNYCMKCLUSWEI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.02
Rot. Bonds8

About N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide

N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide (PubChem CID 57076729) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide
PubChem CID57076729
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide
SMILESCC(CC(O)CN)CC(O)c1ccc(NC=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(6-13(18)8-15)7-14(19)11-2-4-12(5-3-11)16-9-17/h2-5,9-10,13-14,18-19H,6-8,15H2,1H3,(H,16,17)
InChIKeyGKNYCMKCLUSWEI-UHFFFAOYSA-N
XLogP1.02
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.02
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-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
N-[4-(1,2,3-trihydroxypropyl)phenyl]formamide
CID 168654124
1-amino-4,6-dimethylheptan-2-ol
CID 146604976
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
ethane;N-(4-hydroxyphenyl)formamide;methanamine
CID 145229488
N-[4-[1-(4-formamidophenyl)propyl]phenyl]acetamide
CID 59095975
1-amino-4-(4-aminophenyl)pentan-2-ol
CID 112718075
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
[4-[(1R)-2-amino-1-hydroxyethyl]phenyl]carbamic acid
CID 146189274
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide?
The IUPAC name of N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide (CID 57076729) is N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide.
What is the SMILES notation for N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide?
The canonical SMILES for N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide is CC(CC(O)CN)CC(O)c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide?
The InChIKey is GKNYCMKCLUSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(6-13(18)8-15)7-14(19)11-2-4-12(5-3-11)16-9-17/h2-5,9-10,13-14,18-19H,6-8,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide?
N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide has a molecular weight of 266.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-1,5-dihydroxy-3-methylhexyl)phenyl]formamide is sourced from PubChem (CID 57076729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).