N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide

C23H26N4O2 — CID 162648364

IUPACN-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-22(17-6-2-1-3-7-17)25-18-12-10-16(11-13-18)14-15-24-21-19-8-4-5-9-20(19)23(29)27-26-21/h4-5,8-13,17H,1-3,6-7,14-15H2,(H,24,26)(H,25,28)(H,27,29)
InChIKeyLEHQLXHISVZEME-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.10
Rot. Bonds6

About N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 162648364) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide
PubChem CID162648364
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-22(17-6-2-1-3-7-17)25-18-12-10-16(11-13-18)14-15-24-21-19-8-4-5-9-20(19)23(29)27-26-21/h4-5,8-13,17H,1-3,6-7,14-15H2,(H,24,26)(H,25,28)(H,27,29)
InChIKeyLEHQLXHISVZEME-UHFFFAOYSA-N
XLogP4.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028301
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
CID 119085133
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
CID 112983566
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 20818779

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide (CID 162648364) is N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(CCNc2n[nH]c(=O)c3ccccc23)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is LEHQLXHISVZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(17-6-2-1-3-7-17)25-18-12-10-16(11-13-18)14-15-24-21-19-8-4-5-9-20(19)23(29)27-26-21/h4-5,8-13,17H,1-3,6-7,14-15H2,(H,24,26)(H,25,28)(H,27,29).
What are the key properties of N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-oxo-3H-phthalazin-1-yl)amino]ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 162648364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).