N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide

C17H26N2O3 — CID 10040815

IUPACN-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide
SMILESCCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C17H26N2O3/c1-4-9-19(10-8-18-13(2)20)14-11-15-16(21-3)6-5-7-17(15)22-12-14/h5-7,14H,4,8-12H2,1-3H3,(H,18,20)
InChIKeyWLDXPKVWTUVBFJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide

N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide (PubChem CID 10040815) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide
PubChem CID10040815
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide
SMILESCCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1
InChIInChI=1S/C17H26N2O3/c1-4-9-19(10-8-18-13(2)20)14-11-15-16(21-3)6-5-7-17(15)22-12-14/h5-7,14H,4,8-12H2,1-3H3,(H,18,20)
InChIKeyWLDXPKVWTUVBFJ-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide (CID 10040815) is N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide is CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1.
What is the InChIKey of N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide?
The InChIKey is WLDXPKVWTUVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-9-19(10-8-18-13(2)20)14-11-15-16(21-3)6-5-7-17(15)22-12-14/h5-7,14H,4,8-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide?
N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide is sourced from PubChem (CID 10040815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).