N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide

C12H18N2O2 — CID 104556594

IUPACN-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(6-11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7,13H2,1-3H3
InChIKeyKBVXBEXNXBAGJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide

N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 104556594) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID104556594
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1O
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(6-11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7,13H2,1-3H3
InChIKeyKBVXBEXNXBAGJO-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
N-(4-aminobutan-2-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107727840
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide (CID 104556594) is N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)CN)cc1O.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is KBVXBEXNXBAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-10(6-11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide?
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 104556594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).