N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide

C15H24N4O2 — CID 77028727

IUPACN-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
SMILESCCC(CC(N)=NO)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H24N4O2/c1-4-13(9-15(16)19-21)17-10(2)12-6-5-7-14(8-12)18-11(3)20/h5-8,10,13,17,21H,4,9H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyFQLBLQJBGLYRRT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds7

About N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide (PubChem CID 77028727) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
PubChem CID77028727
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
SMILESCCC(CC(N)=NO)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H24N4O2/c1-4-13(9-15(16)19-21)17-10(2)12-6-5-7-14(8-12)18-11(3)20/h5-8,10,13,17,21H,4,9H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyFQLBLQJBGLYRRT-UHFFFAOYSA-N
XLogP2.21
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
CID 77028724
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961
N-[3-[1-[1-(4-chlorophenyl)propylamino]ethyl]phenyl]acetamide
CID 119139033
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[3-[1-[1-(oxolan-2-yl)propylamino]ethyl]phenyl]acetamide
CID 75483028

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide (CID 77028727) is N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide is CCC(CC(N)=NO)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is FQLBLQJBGLYRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-13(9-15(16)19-21)17-10(2)12-6-5-7-14(8-12)18-11(3)20/h5-8,10,13,17,21H,4,9H2,1-3H3,(H2,16,19)(H,18,20).
What are the key properties of N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 77028727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).