N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide

C16H24N2O3 — CID 111114582

IUPACN-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-2-18-15(19)11-21-14-6-4-13(5-7-14)10-17-12-16(20)8-3-9-16/h4-7,17,20H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyPGTMJWRXAPUNCO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds8

About N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide

N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide (PubChem CID 111114582) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
PubChem CID111114582
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-2-18-15(19)11-21-14-6-4-13(5-7-14)10-17-12-16(20)8-3-9-16/h4-7,17,20H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyPGTMJWRXAPUNCO-UHFFFAOYSA-N
XLogP1.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
CID 111468901
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 111466689
2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
CID 56822891
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
CID 111114650
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide (CID 111114582) is N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CNCC2(O)CCC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is PGTMJWRXAPUNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18-15(19)11-21-14-6-4-13(5-7-14)10-17-12-16(20)8-3-9-16/h4-7,17,20H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide?
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111114582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).