N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide

C16H25N3O2 — CID 54813705

IUPACN-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CN(CC)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-7-15(20)17-13-8-10-14(11-9-13)18-16(21)12-19(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCJMVSBYOAMDYOR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.71
Rot. Bonds8

About N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide

N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide (PubChem CID 54813705) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
PubChem CID54813705
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(=O)CN(CC)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-7-15(20)17-13-8-10-14(11-9-13)18-16(21)12-19(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCJMVSBYOAMDYOR-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(4-formylphenyl)butanamide
CID 14471017
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813570
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide (CID 54813705) is N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NC(=O)CN(CC)CC)cc1.
What is the InChIKey of N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide?
The InChIKey is CJMVSBYOAMDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-7-15(20)17-13-8-10-14(11-9-13)18-16(21)12-19(5-2)6-3/h8-11H,4-7,12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54813705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).