N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide

C13H20N2O2 — CID 115466077

IUPACN-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
SMILESCCCNC(=O)CNC1CCCc2occc21
InChIInChI=1S/C13H20N2O2/c1-2-7-14-13(16)9-15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11,15H,2-5,7,9H2,1H3,(H,14,16)
InChIKeyLCTYBPWDMUZENK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide

N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide (PubChem CID 115466077) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
PubChem CID115466077
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
SMILESCCCNC(=O)CNC1CCCc2occc21
InChIInChI=1S/C13H20N2O2/c1-2-7-14-13(16)9-15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11,15H,2-5,7,9H2,1H3,(H,14,16)
InChIKeyLCTYBPWDMUZENK-UHFFFAOYSA-N
XLogP1.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964092
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The IUPAC name of N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide (CID 115466077) is N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide.
What is the SMILES notation for N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The canonical SMILES for N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide is CCCNC(=O)CNC1CCCc2occc21.
What is the InChIKey of N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The InChIKey is LCTYBPWDMUZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-7-14-13(16)9-15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11,15H,2-5,7,9H2,1H3,(H,14,16).
What are the key properties of N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide is sourced from PubChem (CID 115466077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).