N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide

C14H22N2O2 — CID 54893746

IUPACN-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
SMILESCCCOc1cccc(CNCCNC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-3-9-18-14-6-4-5-13(10-14)11-15-7-8-16-12(2)17/h4-6,10,15H,3,7-9,11H2,1-2H3,(H,16,17)
InChIKeyOJSMMLRLSLWYQD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds8

About N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide

N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide (PubChem CID 54893746) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
PubChem CID54893746
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
SMILESCCCOc1cccc(CNCCNC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-3-9-18-14-6-4-5-13(10-14)11-15-7-8-16-12(2)17/h4-6,10,15H,3,7-9,11H2,1-2H3,(H,16,17)
InChIKeyOJSMMLRLSLWYQD-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
2-[(3-propoxyphenyl)methylamino]ethyl propanoate
CID 82532842
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
4-methylsulfanyl-N-[(3-propoxyphenyl)methyl]butan-1-amine
CID 115639219
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide (CID 54893746) is N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide is CCCOc1cccc(CNCCNC(C)=O)c1.
What is the InChIKey of N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide?
The InChIKey is OJSMMLRLSLWYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-18-14-6-4-5-13(10-14)11-15-7-8-16-12(2)17/h4-6,10,15H,3,7-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide?
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 54893746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).