N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C16H21NO3 — CID 46493024

IUPACN-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-16(17-7-1-8-19-11-12-2-3-12)14-4-5-15-13(10-14)6-9-20-15/h4-5,10,12H,1-3,6-9,11H2,(H,17,18)
InChIKeyNRHOPMHGHSIGTJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 46493024) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID46493024
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H21NO3/c18-16(17-7-1-8-19-11-12-2-3-12)14-4-5-15-13(10-14)6-9-20-15/h4-5,10,12H,1-3,6-9,11H2,(H,17,18)
InChIKeyNRHOPMHGHSIGTJ-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 146153267
N-[3-(cyclopropylmethoxy)propyl]-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43770815
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 46493024) is N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCCCOCC1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is NRHOPMHGHSIGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(17-7-1-8-19-11-12-2-3-12)14-4-5-15-13(10-14)6-9-20-15/h4-5,10,12H,1-3,6-9,11H2,(H,17,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46493024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).