3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide

C16H22N2O2 — CID 119323143

IUPAC3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
SMILESCc1c(C(NC(=O)CCN)C(C)C)oc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-10(2)15(18-14(19)8-9-17)16-11(3)12-6-4-5-7-13(12)20-16/h4-7,10,15H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyUVHWPQVLTZMXEP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide

3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide (PubChem CID 119323143) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
PubChem CID119323143
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
SMILESCc1c(C(NC(=O)CCN)C(C)C)oc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-10(2)15(18-14(19)8-9-17)16-11(3)12-6-4-5-7-13(12)20-16/h4-7,10,15H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyUVHWPQVLTZMXEP-UHFFFAOYSA-N
XLogP2.90
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
CID 119782837
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
CID 56789337
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119782858
1-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 166532501
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide (CID 119323143) is 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide is Cc1c(C(NC(=O)CCN)C(C)C)oc2ccccc12.
What is the InChIKey of 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
The InChIKey is UVHWPQVLTZMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)15(18-14(19)8-9-17)16-11(3)12-6-4-5-7-13(12)20-16/h4-7,10,15H,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide?
3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide is sourced from PubChem (CID 119323143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).