N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide

C15H24N4O2 — CID 77026878

IUPACN-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide
SMILESCCC(CC(N)=NO)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N4O2/c1-3-13(10-14(16)19-21)17-8-9-18-15(20)12-6-4-11(2)5-7-12/h4-7,13,17,21H,3,8-10H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYXESFNNTLDAAPR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.23
Rot. Bonds8

About N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide

N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide (PubChem CID 77026878) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide
PubChem CID77026878
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide
SMILESCCC(CC(N)=NO)NCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N4O2/c1-3-13(10-14(16)19-21)17-8-9-18-15(20)12-6-4-11(2)5-7-12/h4-7,13,17,21H,3,8-10H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyYXESFNNTLDAAPR-UHFFFAOYSA-N
XLogP1.23
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-[2-(1-cyanobutan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880689
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
CID 77027007
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3,4-dihydroxybenzamide
CID 107728912
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
CID 64920352
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
CID 77072497
methyl 2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]butanoate
CID 79396559
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide (CID 77026878) is N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide is CCC(CC(N)=NO)NCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide?
The InChIKey is YXESFNNTLDAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-13(10-14(16)19-21)17-8-9-18-15(20)12-6-4-11(2)5-7-12/h4-7,13,17,21H,3,8-10H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide?
N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 77026878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).