2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride

C18H27ClN2O2 — CID 119323150

IUPAC2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1oc2ccccc2c1C)C(C)C.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-5-8-14(19)18(21)20-16(11(2)3)17-12(4)13-9-6-7-10-15(13)22-17;/h6-7,9-11,14,16H,5,8,19H2,1-4H3,(H,20,21);1H
InChIKeyNVEZQCZYBNPSGR-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.10
Rot. Bonds6

About 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride

2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride (PubChem CID 119323150) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
PubChem CID119323150
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(c1oc2ccccc2c1C)C(C)C.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-5-8-14(19)18(21)20-16(11(2)3)17-12(4)13-9-6-7-10-15(13)22-17;/h6-7,9-11,14,16H,5,8,19H2,1-4H3,(H,20,21);1H
InChIKeyNVEZQCZYBNPSGR-UHFFFAOYSA-N
XLogP4.10
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 119323143
N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-2-methylsulfonylpropanamide
CID 56789337
7-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]heptanamide
CID 119782837
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
2-(aminomethyl)-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119782858
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
1-[(1S)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 176854087
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride (CID 119323150) is 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(c1oc2ccccc2c1C)C(C)C.Cl.
What is the InChIKey of 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride?
The InChIKey is NVEZQCZYBNPSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-5-8-14(19)18(21)20-16(11(2)3)17-12(4)13-9-6-7-10-15(13)22-17;/h6-7,9-11,14,16H,5,8,19H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride?
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119323150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).