2-amino-2-(4-hydroxyphenyl)pent-4-ynamide

C11H12N2O2 — CID 57090520

IUPAC2-amino-2-(4-hydroxyphenyl)pent-4-ynamide
SMILESC#CCC(N)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N2O2/c1-2-7-11(13,10(12)15)8-3-5-9(14)6-4-8/h1,3-6,14H,7,13H2,(H2,12,15)
InChIKeyLOHWFARBVHTFLM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.05
Rot. Bonds3

About 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide

2-amino-2-(4-hydroxyphenyl)pent-4-ynamide (PubChem CID 57090520) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-2-(4-hydroxyphenyl)pent-4-ynamide
PubChem CID57090520
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-2-(4-hydroxyphenyl)pent-4-ynamide
SMILESC#CCC(N)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C11H12N2O2/c1-2-7-11(13,10(12)15)8-3-5-9(14)6-4-8/h1,3-6,14H,7,13H2,(H2,12,15)
InChIKeyLOHWFARBVHTFLM-UHFFFAOYSA-N
XLogP0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
CID 68535967
4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol
CID 163652118
1-O-tert-butyl 4-O-methyl 2-amino-2-(4-hydroxyphenyl)butanedioate
CID 67174815
benzene-1,4-diol;carbamic acid
CID 158152403
2-(4-hydroxyphenyl)-2-methoxyhexanamide
CID 91014466
4-(3-aminopentan-3-yl)phenol
CID 23621887
[1-amino-1-(3,5-dimethylphenyl)but-3-ynyl] carbamate
CID 174764404
5-(dimethylamino)-2,2-bis(4-hydroxyphenyl)pentanamide
CID 57275546
4-(trichloromethyl)phenol
CID 21200855
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
benzene-1,4-diol;3-prop-2-ynoxyprop-1-yne
CID 22749294
2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)butanamide
CID 60997030

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide?
The IUPAC name of 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide (CID 57090520) is 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide.
What is the SMILES notation for 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide?
The canonical SMILES for 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide is C#CCC(N)(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide?
The InChIKey is LOHWFARBVHTFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-7-11(13,10(12)15)8-3-5-9(14)6-4-8/h1,3-6,14H,7,13H2,(H2,12,15).
What are the key properties of 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide?
2-amino-2-(4-hydroxyphenyl)pent-4-ynamide has a molecular weight of 204.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-hydroxyphenyl)pent-4-ynamide is sourced from PubChem (CID 57090520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).