(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide

C17H24N2O2 — CID 119737273

IUPAC(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
SMILESCc1c(C(C)NC(=O)[C@@H](N)C(C)(C)C)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-10-12-8-6-7-9-13(12)21-14(10)11(2)19-16(20)15(18)17(3,4)5/h6-9,11,15H,18H2,1-5H3,(H,19,20)/t11?,15-/m1/s1
InChIKeyPZFYVIOPXGGCMQ-JOPIAHFSSA-N
MW288.39 g/mol
LogP3.29
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide (PubChem CID 119737273) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
PubChem CID119737273
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
SMILESCc1c(C(C)NC(=O)[C@@H](N)C(C)(C)C)oc2ccccc12
InChIInChI=1S/C17H24N2O2/c1-10-12-8-6-7-9-13(12)21-14(10)11(2)19-16(20)15(18)17(3,4)5/h6-9,11,15H,18H2,1-5H3,(H,19,20)/t11?,15-/m1/s1
InChIKeyPZFYVIOPXGGCMQ-JOPIAHFSSA-N
XLogP3.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.29
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
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 55808091
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119789746
(2S)-2-(carbamoylamino)-N-[(1R)-2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 95328711
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
3-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]propanamide
CID 119323143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide (CID 119737273) is (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide is Cc1c(C(C)NC(=O)[C@@H](N)C(C)(C)C)oc2ccccc12.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?
The InChIKey is PZFYVIOPXGGCMQ-JOPIAHFSSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-12-8-6-7-9-13(12)21-14(10)11(2)19-16(20)15(18)17(3,4)5/h6-9,11,15H,18H2,1-5H3,(H,19,20)/t11?,15-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide is sourced from PubChem (CID 119737273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).