3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide

C13H20N2O — CID 143405963

IUPAC3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cc(CCNC(C)C)cc(C(N)=O)c1
InChIInChI=1S/C13H20N2O/c1-9(2)15-5-4-11-6-10(3)7-12(8-11)13(14)16/h6-9,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyGRGHNOKOEKNGAQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds5

About 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide

3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 143405963) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID143405963
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cc(CCNC(C)C)cc(C(N)=O)c1
InChIInChI=1S/C13H20N2O/c1-9(2)15-5-4-11-6-10(3)7-12(8-11)13(14)16/h6-9,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyGRGHNOKOEKNGAQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-4-bromopenta-1,3-diene;butanal;formamide;3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide;propane
CID 143405968
5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 21084966
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 91187790
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
3-hexyl-5-methyl-N-propan-2-ylbenzamide
CID 90950721
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[3-(propan-2-ylamino)propoxymethyl]benzamide
CID 62343389
2-(3,5-dimethylphenyl)ethylhydrazine
CID 53402680
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide (CID 143405963) is 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide is Cc1cc(CCNC(C)C)cc(C(N)=O)c1.
What is the InChIKey of 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is GRGHNOKOEKNGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)15-5-4-11-6-10(3)7-12(8-11)13(14)16/h6-9,15H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide?
3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 220.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 143405963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).