N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide

C15H22N2O4 — CID 18889979

IUPACN-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-8-21-14-9-12(6-7-13(14)20-4)15(16-10(2)18)17-11(3)19/h6-7,9,15H,5,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDCYHTTSROLXQMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.75
Rot. Bonds7

About N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide

N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide (PubChem CID 18889979) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
PubChem CID18889979
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-8-21-14-9-12(6-7-13(14)20-4)15(16-10(2)18)17-11(3)19/h6-7,9,15H,5,8H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDCYHTTSROLXQMX-UHFFFAOYSA-N
XLogP1.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
CID 2139822
N-[(3-methoxy-4-propoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 3658845
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153
N-[(3-hexoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890129
2-chloro-N-[[(2-chloroacetyl)amino]-(3-heptoxy-4-methoxyphenyl)methyl]acetamide
CID 18890159
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 18839441
1-chloro-1-(4-methoxy-3-propoxyphenyl)butan-2-one
CID 82161257
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
N-[(4-hexoxy-3-methoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 5258983
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18890095
3-(3-methoxy-4-propoxyphenyl)hexanoic acid
CID 83958717

Frequently Asked Questions

What is the IUPAC name of N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide?
The IUPAC name of N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide (CID 18889979) is N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide is CCCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC.
What is the InChIKey of N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide?
The InChIKey is DCYHTTSROLXQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-8-21-14-9-12(6-7-13(14)20-4)15(16-10(2)18)17-11(3)19/h6-7,9,15H,5,8H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide?
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18889979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).