(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide

C19H25N3O4 — CID 96874001

IUPAC(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
SMILESCCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(N(C)C)o2)cc1
InChIInChI=1S/C19H25N3O4/c1-4-25-15-7-5-14(6-8-15)17(23)10-11-18(24)21-20-13-16-9-12-19(26-16)22(2)3/h5-9,12-13,17,23H,4,10-11H2,1-3H3,(H,21,24)/b20-13-/t17-/m0/s1
InChIKeyOSIZXSRBOIMRDT-IZQLPPHKSA-N
MW359.43 g/mol
LogP2.71
Rot. Bonds9

About (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide

(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide (PubChem CID 96874001) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
PubChem CID96874001
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
SMILESCCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(N(C)C)o2)cc1
InChIInChI=1S/C19H25N3O4/c1-4-25-15-7-5-14(6-8-15)17(23)10-11-18(24)21-20-13-16-9-12-19(26-16)22(2)3/h5-9,12-13,17,23H,4,10-11H2,1-3H3,(H,21,24)/b20-13-/t17-/m0/s1
InChIKeyOSIZXSRBOIMRDT-IZQLPPHKSA-N
XLogP2.71
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874005
(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 96874114
(4S)-N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96873890
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 126008441
(4R)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874073
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
(4R)-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96873720
(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 94833727
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
(4R)-4-(4-ethoxyphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxybutanamide
CID 96874189
(4S)-4-(4-ethoxyphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxybutanamide
CID 96874191

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide?
The IUPAC name of (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide (CID 96874001) is (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide.
What is the SMILES notation for (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide?
The canonical SMILES for (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide is CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(N(C)C)o2)cc1.
What is the InChIKey of (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide?
The InChIKey is OSIZXSRBOIMRDT-IZQLPPHKSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-25-15-7-5-14(6-8-15)17(23)10-11-18(24)21-20-13-16-9-12-19(26-16)22(2)3/h5-9,12-13,17,23H,4,10-11H2,1-3H3,(H,21,24)/b20-13-/t17-/m0/s1.
What are the key properties of (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide?
(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide has a molecular weight of 359.43 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 96874001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).