(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

C17H29N3O2 — CID 8909314

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@@H](C(=O)NCCC1=CCCCC1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H29N3O2/c1-13(20(2)12-16(21)19-15-8-9-15)17(22)18-11-10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyMDGGVQIOZQOVDX-ZDUSSCGKSA-N
MW307.44 g/mol
LogP1.59
Rot. Bonds8

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 8909314) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID8909314
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@@H](C(=O)NCCC1=CCCCC1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C17H29N3O2/c1-13(20(2)12-16(21)19-15-8-9-15)17(22)18-11-10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyMDGGVQIOZQOVDX-ZDUSSCGKSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8621914
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8842766
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-cyclohexylacetamide;hydroiodide
CID 111209315
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (CID 8909314) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is C[C@@H](C(=O)NCCC1=CCCCC1)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is MDGGVQIOZQOVDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(20(2)12-16(21)19-15-8-9-15)17(22)18-11-10-14-6-4-3-5-7-14/h6,13,15H,3-5,7-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 307.44 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 8909314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).