4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide

C15H25N3O2 — CID 24710565

IUPAC4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
SMILESCOc1cccc(C(CNC(=O)CCCN)N(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-18(2)14(11-17-15(19)8-5-9-16)12-6-4-7-13(10-12)20-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3,(H,17,19)
InChIKeyZQMYFAODGZUMFN-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.15
Rot. Bonds8

About 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide

4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 24710565) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID24710565
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
SMILESCOc1cccc(C(CNC(=O)CCCN)N(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-18(2)14(11-17-15(19)8-5-9-16)12-6-4-7-13(10-12)20-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3,(H,17,19)
InChIKeyZQMYFAODGZUMFN-UHFFFAOYSA-N
XLogP1.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 112764499
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 43067259

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide (CID 24710565) is 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide is COc1cccc(C(CNC(=O)CCCN)N(C)C)c1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is ZQMYFAODGZUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(2)14(11-17-15(19)8-5-9-16)12-6-4-7-13(10-12)20-3/h4,6-7,10,14H,5,8-9,11,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide?
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 279.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 24710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).