N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide

C18H31N3O2 — CID 8768359

IUPACN-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22)
InChIKeyAOWWDFKSRKETOV-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.28
Rot. Bonds6

About N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8768359) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8768359
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1
InChIInChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22)
InChIKeyAOWWDFKSRKETOV-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809318
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 10662762
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohex-3-en-1-yl]acetamide
CID 68272063
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 142682970
N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-ium-1-yl)-N-propylacetamide
CID 8547842
N-(cyclohexen-1-yl)-2-(3-oxopiperazin-1-yl)-N-propylacetamide
CID 8547843
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide
CID 8709831
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8709832

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8768359) is N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(=O)N(C1=CCCCC1)C1CC1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is AOWWDFKSRKETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-18(2,3)19-16(22)12-20(4)13-17(23)21(15-10-11-15)14-8-6-5-7-9-14/h8,15H,5-7,9-13H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 321.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8768359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).