N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide

C14H22N4O2 — CID 77028724

IUPACN-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)CC(N)=NO)c1
InChIInChI=1S/C14H22N4O2/c1-9(7-14(15)18-20)16-10(2)12-5-4-6-13(8-12)17-11(3)19/h4-6,8-10,16,20H,7H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyYRTOYYQZIJMVEW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.82
Rot. Bonds6

About N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide (PubChem CID 77028724) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
PubChem CID77028724
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(C)CC(N)=NO)c1
InChIInChI=1S/C14H22N4O2/c1-9(7-14(15)18-20)16-10(2)12-5-4-6-13(8-12)17-11(3)19/h4-6,8-10,16,20H,7H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyYRTOYYQZIJMVEW-UHFFFAOYSA-N
XLogP1.82
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.82
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-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
CID 77028727
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenyl]acetamide
CID 43692638
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-(1-cyclopropylpropylamino)ethyl]phenyl]acetamide
CID 64917961

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide (CID 77028724) is N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC(C)CC(N)=NO)c1.
What is the InChIKey of N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is YRTOYYQZIJMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(7-14(15)18-20)16-10(2)12-5-4-6-13(8-12)17-11(3)19/h4-6,8-10,16,20H,7H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 77028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).