4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide

C16H27N3O2 — CID 142203180

IUPAC4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide
SMILESCN(CCO)CCN(C)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H27N3O2/c1-18(11-12-19(2)13-14-20)10-6-9-16(21)17-15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14H2,1-2H3,(H,17,21)
InChIKeyFBDALDJVZGLANV-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.26
Rot. Bonds10

About 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide

4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide (PubChem CID 142203180) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide
PubChem CID142203180
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide
SMILESCN(CCO)CCN(C)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H27N3O2/c1-18(11-12-19(2)13-14-20)10-6-9-16(21)17-15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14H2,1-2H3,(H,17,21)
InChIKeyFBDALDJVZGLANV-UHFFFAOYSA-N
XLogP1.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
4-[[8-(4-carbamoylanilino)-8-oxooctyl]-methylamino]butanoic acid
CID 91585765
tert-butyl 4-[8-[2-hydroxyethyl(methyl)amino]octanoylamino]benzoate
CID 58024758
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide?
The IUPAC name of 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide (CID 142203180) is 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide?
The canonical SMILES for 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide is CN(CCO)CCN(C)CCCC(=O)Nc1ccccc1.
What is the InChIKey of 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide?
The InChIKey is FBDALDJVZGLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(11-12-19(2)13-14-20)10-6-9-16(21)17-15-7-4-3-5-8-15/h3-5,7-8,20H,6,9-14H2,1-2H3,(H,17,21).
What are the key properties of 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide?
4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 1.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]-N-phenylbutanamide is sourced from PubChem (CID 142203180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).