N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide

C16H22N2O2 — CID 60854523

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)17-9-8-16(19)18-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeySFMNLFCCQQQRHL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60854523) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID60854523
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)17-9-8-16(19)18-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeySFMNLFCCQQQRHL-UHFFFAOYSA-N
XLogP3.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide (CID 60854523) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is SFMNLFCCQQQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)17-9-8-16(19)18-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 274.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60854523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).