N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide

C16H26N2O3 — CID 61477112

IUPACN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCNC(=O)C(C)NCC(O)COc1ccc(CC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-13-6-8-15(9-7-13)21-11-14(19)10-18-12(3)16(20)17-5-2/h6-9,12,14,18-19H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyFCVNDPRBNLKGGJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.10
Rot. Bonds9

About N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide

N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 61477112) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID61477112
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide
SMILESCCNC(=O)C(C)NCC(O)COc1ccc(CC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-13-6-8-15(9-7-13)21-11-14(19)10-18-12(3)16(20)17-5-2/h6-9,12,14,18-19H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyFCVNDPRBNLKGGJ-UHFFFAOYSA-N
XLogP1.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 47112875
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
4-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64911209
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide (CID 61477112) is N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide is CCNC(=O)C(C)NCC(O)COc1ccc(CC)cc1.
What is the InChIKey of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is FCVNDPRBNLKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-13-6-8-15(9-7-13)21-11-14(19)10-18-12(3)16(20)17-5-2/h6-9,12,14,18-19H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide?
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 61477112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).