N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide

C18H22N2O2 — CID 57404342

IUPACN-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-6-9-16(21)15(10-13)17(22)20-14-7-4-12(11-19)5-8-14/h4-10,21H,11,19H2,1-3H3,(H,20,22)
InChIKeySVSGGNNTSJRRTJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide

N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide (PubChem CID 57404342) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide
PubChem CID57404342
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)13-6-9-16(21)15(10-13)17(22)20-14-7-4-12(11-19)5-8-14/h4-10,21H,11,19H2,1-3H3,(H,20,22)
InChIKeySVSGGNNTSJRRTJ-UHFFFAOYSA-N
XLogP3.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ivacaftor
CID 16220172
Salicylanilide
CID 6872
Osalmid
CID 4602
C.I. 37505
CID 66719
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
CID 67273
Anthonaphthol SW
CID 67276
3-Hydroxy-4'-methyl-2-naphthanilide
CID 77215
Deutivacaftor
CID 71470491
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805
3-Hydroxy-2-anthro-o-toluidide
CID 74593
N-(4-carbamimidoylphenyl)-2-hydroxy-3-iodo-5-methylbenzamide
CID 9886960
2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-
CID 66717

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide (CID 57404342) is N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide is CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc(CN)cc2)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide?
The InChIKey is SVSGGNNTSJRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)13-6-9-16(21)15(10-13)17(22)20-14-7-4-12(11-19)5-8-14/h4-10,21H,11,19H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide?
N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-tert-butyl-2-hydroxybenzamide is sourced from PubChem (CID 57404342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).