N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide

C24H34N4O3 — CID 4051543

IUPACN-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(NC(CO)C(=O)NC1CCCCCCCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H34N4O3/c29-17-22(28-23(30)21-16-25-19-14-10-11-15-20(19)27-21)24(31)26-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-16,18,22,29H,1-9,12-13,17H2,(H,26,31)(H,28,30)
InChIKeyYOMNPMMTRSQISA-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide

N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide (PubChem CID 4051543) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
PubChem CID4051543
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(NC(CO)C(=O)NC1CCCCCCCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H34N4O3/c29-17-22(28-23(30)21-16-25-19-14-10-11-15-20(19)27-21)24(31)26-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-16,18,22,29H,1-9,12-13,17H2,(H,26,31)(H,28,30)
InChIKeyYOMNPMMTRSQISA-UHFFFAOYSA-N
XLogP3.51
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
N-[(2S)-1-[[4-(cyclohexylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoxaline-2-carboxamide
CID 166684738
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
CID 6723510
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
N-[3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4576762

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide (CID 4051543) is N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide is O=C(NC(CO)C(=O)NC1CCCCCCCCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is YOMNPMMTRSQISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-17-22(28-23(30)21-16-25-19-14-10-11-15-20(19)27-21)24(31)26-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-16,18,22,29H,1-9,12-13,17H2,(H,26,31)(H,28,30).
What are the key properties of N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 4051543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).