(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide

C12H23N5O4 — CID 6411323

IUPAC(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide
SMILESC/C(=N/O)C(=O)NCCCNCCCNC(=O)/C(C)=N\O
InChIInChI=1S/C12H23N5O4/c1-9(16-20)11(18)14-7-3-5-13-6-4-8-15-12(19)10(2)17-21/h13,20-21H,3-8H2,1-2H3,(H,14,18)(H,15,19)/b16-9-,17-10-
InChIKeyYTLCBOMPDFFOGW-CQRYCMKKSA-N
MW301.35 g/mol
LogP-0.71
Rot. Bonds10

About (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide

(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide (PubChem CID 6411323) has the molecular formula C12H23N5O4 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide
PubChem CID6411323
Molecular FormulaC12H23N5O4
Molecular Weight301.35 g/mol
Exact Mass301.18
IUPAC Name(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide
SMILESC/C(=N/O)C(=O)NCCCNCCCNC(=O)/C(C)=N\O
InChIInChI=1S/C12H23N5O4/c1-9(16-20)11(18)14-7-3-5-13-6-4-8-15-12(19)10(2)17-21/h13,20-21H,3-8H2,1-2H3,(H,14,18)(H,15,19)/b16-9-,17-10-
InChIKeyYTLCBOMPDFFOGW-CQRYCMKKSA-N
XLogP-0.71
TPSA135.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[[(2Z)-2-hydroxyiminopropanoyl]amino]propyl]-1-methylpyridin-1-ium-4-carboxamide
CID 8991051
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
CID 6801703
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-(3-acetamidopropyl)acetamide
CID 5147555
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
N'-[3-(3-aminopropylamino)propyl]oxamide
CID 71347825
N-[3-(3-methylbutylamino)propyl]acetamide
CID 82364861
2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
CID 123938959

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide (CID 6411323) is (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide is C/C(=N/O)C(=O)NCCCNCCCNC(=O)/C(C)=N\O.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide?
The InChIKey is YTLCBOMPDFFOGW-CQRYCMKKSA-N. The full InChI is InChI=1S/C12H23N5O4/c1-9(16-20)11(18)14-7-3-5-13-6-4-8-15-12(19)10(2)17-21/h13,20-21H,3-8H2,1-2H3,(H,14,18)(H,15,19)/b16-9-,17-10-.
What are the key properties of (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide?
(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide has a molecular weight of 301.35 g/mol, XLogP of -0.71, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide is sourced from PubChem (CID 6411323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).