N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide

C16H26N2O3 — CID 43278651

IUPACN-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-6-17-16(19)12(4)21-14-8-7-13(9-15(14)20-5)10-18-11(2)3/h7-9,11-12,18H,6,10H2,1-5H3,(H,17,19)
InChIKeyWHLCSXFAWIRLCX-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds8

About N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide

N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide (PubChem CID 43278651) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
PubChem CID43278651
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
SMILESCCNC(=O)C(C)Oc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-6-17-16(19)12(4)21-14-8-7-13(9-15(14)20-5)10-18-11(2)3/h7-9,11-12,18H,6,10H2,1-5H3,(H,17,19)
InChIKeyWHLCSXFAWIRLCX-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83035506
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309454
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 60882437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide (CID 43278651) is N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide is CCNC(=O)C(C)Oc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide?
The InChIKey is WHLCSXFAWIRLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-17-16(19)12(4)21-14-8-7-13(9-15(14)20-5)10-18-11(2)3/h7-9,11-12,18H,6,10H2,1-5H3,(H,17,19).
What are the key properties of N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide?
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 43278651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).