N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide

C19H24N2O3 — CID 146271141

IUPACN-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-12(22)20-15-9-10-16(17(23)11-15)21-18(24)13-5-7-14(8-6-13)19(2,3)4/h5-11,18,21,23-24H,1-4H3,(H,20,22)
InChIKeyDSTPTCHTIJIVRK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.75
Rot. Bonds4

About N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide

N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide (PubChem CID 146271141) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide
PubChem CID146271141
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(O)c2ccc(C(C)(C)C)cc2)c(O)c1
InChIInChI=1S/C19H24N2O3/c1-12(22)20-15-9-10-16(17(23)11-15)21-18(24)13-5-7-14(8-6-13)19(2,3)4/h5-11,18,21,23-24H,1-4H3,(H,20,22)
InChIKeyDSTPTCHTIJIVRK-UHFFFAOYSA-N
XLogP3.75
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 51944255
N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 54698690
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
CID 18982737
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide (CID 146271141) is N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(NC(O)c2ccc(C(C)(C)C)cc2)c(O)c1.
What is the InChIKey of N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide?
The InChIKey is DSTPTCHTIJIVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(22)20-15-9-10-16(17(23)11-15)21-18(24)13-5-7-14(8-6-13)19(2,3)4/h5-11,18,21,23-24H,1-4H3,(H,20,22).
What are the key properties of N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide?
N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 146271141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).