N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide

C23H32N4O3 — CID 8791474

IUPACN-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C23H32N4O3/c1-3-26(15-22(29)25-19-11-9-18(10-12-19)24-17(2)28)16-23(30)27(21-13-14-21)20-7-5-4-6-8-20/h7,9-12,21H,3-6,8,13-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRHOXJNSKALGWAC-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.35
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide (PubChem CID 8791474) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
PubChem CID8791474
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C23H32N4O3/c1-3-26(15-22(29)25-19-11-9-18(10-12-19)24-17(2)28)16-23(30)27(21-13-14-21)20-7-5-4-6-8-20/h7,9-12,21H,3-6,8,13-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRHOXJNSKALGWAC-UHFFFAOYSA-N
XLogP3.35
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61013485
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8558963
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 51225610
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 61370838
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8819689
N-(4-acetamidophenyl)-2-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 8791526
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631867

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide (CID 8791474) is N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is RHOXJNSKALGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-26(15-22(29)25-19-11-9-18(10-12-19)24-17(2)28)16-23(30)27(21-13-14-21)20-7-5-4-6-8-20/h7,9-12,21H,3-6,8,13-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 8791474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).