N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide

C20H29N5O3 — CID 43996617

IUPACN'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H29N5O3/c1-4-25(5-2)12-8-9-14(3)22-20(28)19(27)21-13-17-15-10-6-7-11-16(15)18(26)24-23-17/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,27)(H,22,28)(H,24,26)
InChIKeyBKENTFHPKXQXGO-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.17
Rot. Bonds9

About N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide

N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide (PubChem CID 43996617) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
PubChem CID43996617
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C20H29N5O3/c1-4-25(5-2)12-8-9-14(3)22-20(28)19(27)21-13-17-15-10-6-7-11-16(15)18(26)24-23-17/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,27)(H,22,28)(H,24,26)
InChIKeyBKENTFHPKXQXGO-UHFFFAOYSA-N
XLogP1.17
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 43996590
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 27568019
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 18567084
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024

Frequently Asked Questions

What is the IUPAC name of N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The IUPAC name of N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide (CID 43996617) is N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide.
What is the SMILES notation for N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The canonical SMILES for N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide is CCN(CC)CCCC(C)NC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The InChIKey is BKENTFHPKXQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-4-25(5-2)12-8-9-14(3)22-20(28)19(27)21-13-17-15-10-6-7-11-16(15)18(26)24-23-17/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,21,27)(H,22,28)(H,24,26).
What are the key properties of N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide has a molecular weight of 387.48 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide is sourced from PubChem (CID 43996617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).