2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide

C16H27N3O2 — CID 60852855

IUPAC2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-5-13(2)17-12-16(20)18-14-7-6-8-15(11-14)21-10-9-19(3)4/h6-8,11,13,17H,5,9-10,12H2,1-4H3,(H,18,20)
InChIKeyNIMVDOZIERDYGQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.95
Rot. Bonds9

About 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide

2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide (PubChem CID 60852855) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
PubChem CID60852855
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-5-13(2)17-12-16(20)18-14-7-6-8-15(11-14)21-10-9-19(3)4/h6-8,11,13,17H,5,9-10,12H2,1-4H3,(H,18,20)
InChIKeyNIMVDOZIERDYGQ-UHFFFAOYSA-N
XLogP1.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538
2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
CID 54845800
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide (CID 60852855) is 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide is CCC(C)NCC(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The InChIKey is NIMVDOZIERDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-13(2)17-12-16(20)18-14-7-6-8-15(11-14)21-10-9-19(3)4/h6-8,11,13,17H,5,9-10,12H2,1-4H3,(H,18,20).
What are the key properties of 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 60852855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).