N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide

C15H23N3O2 — CID 77044659

IUPACN-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccccc1CCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)18(10-14(16)17-20)15(19)9-8-13-7-5-4-6-12(13)3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyRRHMQXNIQHGUDJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide

N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide (PubChem CID 77044659) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
PubChem CID77044659
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccccc1CCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C15H23N3O2/c1-11(2)18(10-14(16)17-20)15(19)9-8-13-7-5-4-6-12(13)3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyRRHMQXNIQHGUDJ-UHFFFAOYSA-N
XLogP1.91
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 76941574
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 55135540
ethyl 2-[[2-(2-methylphenyl)acetyl]-propan-2-ylamino]acetate
CID 61021189
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-(2-methylphenyl)propanamide
CID 76941661
N-(2-aminoethyl)-3-(2-methylphenyl)-N-pentan-3-ylpropanamide
CID 63753493
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide (CID 77044659) is N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide is Cc1ccccc1CCC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is RRHMQXNIQHGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)18(10-14(16)17-20)15(19)9-8-13-7-5-4-6-12(13)3/h4-7,11,20H,8-10H2,1-3H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide?
N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 77044659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).