2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide

C16H25N3O2 — CID 105415307

IUPAC2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
SMILESCN(C)C1(CNCc2ccc(OCC(N)=O)cc2)CCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(8-3-9-16)12-18-10-13-4-6-14(7-5-13)21-11-15(17)20/h4-7,18H,3,8-12H2,1-2H3,(H2,17,20)
InChIKeyUJHHHKASSBWWOW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide

2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide (PubChem CID 105415307) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
PubChem CID105415307
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
SMILESCN(C)C1(CNCc2ccc(OCC(N)=O)cc2)CCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(8-3-9-16)12-18-10-13-4-6-14(7-5-13)21-11-15(17)20/h4-7,18H,3,8-12H2,1-2H3,(H2,17,20)
InChIKeyUJHHHKASSBWWOW-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide
CID 80528735
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
CID 78912493
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide (CID 105415307) is 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide is CN(C)C1(CNCc2ccc(OCC(N)=O)cc2)CCC1.
What is the InChIKey of 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide?
The InChIKey is UJHHHKASSBWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)16(8-3-9-16)12-18-10-13-4-6-14(7-5-13)21-11-15(17)20/h4-7,18H,3,8-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide?
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 105415307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).