3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide

C16H27N3O2 — CID 62837414

IUPAC3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H27N3O2/c1-4-17-13(3)12-16(21)18-14-6-8-15(9-7-14)19(5-2)10-11-20/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyUEXMJZUIHLTUJZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds9

About 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide

3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide (PubChem CID 62837414) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
PubChem CID62837414
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H27N3O2/c1-4-17-13(3)12-16(21)18-14-6-8-15(9-7-14)19(5-2)10-11-20/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyUEXMJZUIHLTUJZ-UHFFFAOYSA-N
XLogP1.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
(E)-3-[4-[3-(ethylamino)butanoylamino]phenyl]prop-2-enoic acid
CID 115342286
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
CID 62837560
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide (CID 62837414) is 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide is CCNC(C)CC(=O)Nc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide?
The InChIKey is UEXMJZUIHLTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-17-13(3)12-16(21)18-14-6-8-15(9-7-14)19(5-2)10-11-20/h6-9,13,17,20H,4-5,10-12H2,1-3H3,(H,18,21).
What are the key properties of 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide?
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide has a molecular weight of 293.41 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide is sourced from PubChem (CID 62837414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).