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

C18H33N3O2 — CID 8767783

IUPACN-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O2/c1-6-12-21(15-10-8-7-9-11-15)17(23)14-20(5)13-16(22)19-18(2,3)4/h10H,6-9,11-14H2,1-5H3,(H,19,22)
InChIKeyQCZPVGWYRPDNGC-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.53
Rot. Bonds7

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

N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8767783) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8767783
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H33N3O2/c1-6-12-21(15-10-8-7-9-11-15)17(23)14-20(5)13-16(22)19-18(2,3)4/h10H,6-9,11-14H2,1-5H3,(H,19,22)
InChIKeyQCZPVGWYRPDNGC-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
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
N-tert-butyl-2-[4-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 17431600
1-(Tert-butyl)tetrahydroquinoxalin-2,3-dione
CID 86749675
N-(3,4-diethylcyclohexa-1,3-dien-1-yl)-2-[iodo(methyl)amino]acetamide
CID 89368937
2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
CID 123961968
(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane
CID 143116671
N-[5-[5-[methyl-[2-oxo-2-[6-(propan-2-ylamino)hexylamino]ethyl]amino]hex-1-en-2-ylamino]pentyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 166695083
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8767783) is N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide is CCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is QCZPVGWYRPDNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-6-12-21(15-10-8-7-9-11-15)17(23)14-20(5)13-16(22)19-18(2,3)4/h10H,6-9,11-14H2,1-5H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 323.48 g/mol, XLogP of 2.53, 7 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(propyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8767783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).