N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide

C17H26N2O2 — CID 10493732

IUPACN-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)ccc1OCCCNC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-7-15-12-16(19-14(4)20)8-9-17(15)21-11-6-10-18-13(2)3/h5,8-9,12-13,18H,1,6-7,10-11H2,2-4H3,(H,19,20)
InChIKeyLPFRIUKYXUNQKZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds9

About N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide

N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide (PubChem CID 10493732) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide
PubChem CID10493732
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide
SMILESC=CCc1cc(NC(C)=O)ccc1OCCCNC(C)C
InChIInChI=1S/C17H26N2O2/c1-5-7-15-12-16(19-14(4)20)8-9-17(15)21-11-6-10-18-13(2)3/h5,8-9,12-13,18H,1,6-7,10-11H2,2-4H3,(H,19,20)
InChIKeyLPFRIUKYXUNQKZ-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide?
The IUPAC name of N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide (CID 10493732) is N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide is C=CCc1cc(NC(C)=O)ccc1OCCCNC(C)C.
What is the InChIKey of N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide?
The InChIKey is LPFRIUKYXUNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-7-15-12-16(19-14(4)20)8-9-17(15)21-11-6-10-18-13(2)3/h5,8-9,12-13,18H,1,6-7,10-11H2,2-4H3,(H,19,20).
What are the key properties of N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide?
N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylphenyl]acetamide is sourced from PubChem (CID 10493732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).