2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide

C22H35N3O3 — CID 155265108

IUPAC2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
SMILESC=C(CCNC(=O)C(CC)N(CC)CC)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H35N3O3/c1-7-20(25(8-2)9-3)22(27)23-13-12-18(6)24-21(26)15-28-19-11-10-16(4)17(5)14-19/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyXSFYUOODGKWGGN-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.94
Rot. Bonds12

About 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide

2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide (PubChem CID 155265108) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
PubChem CID155265108
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
SMILESC=C(CCNC(=O)C(CC)N(CC)CC)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H35N3O3/c1-7-20(25(8-2)9-3)22(27)23-13-12-18(6)24-21(26)15-28-19-11-10-16(4)17(5)14-19/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyXSFYUOODGKWGGN-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 155264555
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 138736196
N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
CID 138736713
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
CID 138736740
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide?
The IUPAC name of 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide (CID 155265108) is 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide?
The canonical SMILES for 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide is C=C(CCNC(=O)C(CC)N(CC)CC)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide?
The InChIKey is XSFYUOODGKWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-7-20(25(8-2)9-3)22(27)23-13-12-18(6)24-21(26)15-28-19-11-10-16(4)17(5)14-19/h10-11,14,20H,6-9,12-13,15H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide?
2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide has a molecular weight of 389.54 g/mol, XLogP of 2.94, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide is sourced from PubChem (CID 155265108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).