3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

C16H25N3O2 — CID 60945915

IUPAC3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCN(CCO)c1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-19(11-12-20)15-7-5-14(6-8-15)18-16(21)9-10-17-13-3-4-13/h5-8,13,17,20H,2-4,9-12H2,1H3,(H,18,21)
InChIKeyYAHLCKAYIXADCM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds9

About 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide

3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (PubChem CID 60945915) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
PubChem CID60945915
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
SMILESCCN(CCO)c1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-2-19(11-12-20)15-7-5-14(6-8-15)18-16(21)9-10-17-13-3-4-13/h5-8,13,17,20H,2-4,9-12H2,1H3,(H,18,21)
InChIKeyYAHLCKAYIXADCM-UHFFFAOYSA-N
XLogP1.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
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

3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 63005975

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide (CID 60945915) is 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is CCN(CCO)c1ccc(NC(=O)CCNC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
The InChIKey is YAHLCKAYIXADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-19(11-12-20)15-7-5-14(6-8-15)18-16(21)9-10-17-13-3-4-13/h5-8,13,17,20H,2-4,9-12H2,1H3,(H,18,21).
What are the key properties of 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide?
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide is sourced from PubChem (CID 60945915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).