N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide

C16H22N2O2 — CID 43778106

IUPACN,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
SMILESCc1c(C(C)NC(C)C(=O)N(C)C)oc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-10-13-8-6-7-9-14(13)20-15(10)11(2)17-12(3)16(19)18(4)5/h6-9,11-12,17H,1-5H3
InChIKeyCVKDILZSNNMBEI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.87
Rot. Bonds4

About N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide

N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide (PubChem CID 43778106) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
PubChem CID43778106
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
SMILESCc1c(C(C)NC(C)C(=O)N(C)C)oc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-10-13-8-6-7-9-14(13)20-15(10)11(2)17-12(3)16(19)18(4)5/h6-9,11-12,17H,1-5H3
InChIKeyCVKDILZSNNMBEI-UHFFFAOYSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43781331
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
1-(furan-2-yl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43776740
4-methyl-3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pentan-1-ol
CID 103786449
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide (CID 43778106) is N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide is Cc1c(C(C)NC(C)C(=O)N(C)C)oc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The InChIKey is CVKDILZSNNMBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-13-8-6-7-9-14(13)20-15(10)11(2)17-12(3)16(19)18(4)5/h6-9,11-12,17H,1-5H3.
What are the key properties of N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide is sourced from PubChem (CID 43778106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).