N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide

C14H27N3O2 — CID 7321963

IUPACN'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide
SMILESC[C@@H](CNC(=O)C(=O)NC1CCCCC1)CN(C)C
InChIInChI=1S/C14H27N3O2/c1-11(10-17(2)3)9-15-13(18)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyYTPKAWMLGNZALB-NSHDSACASA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds5

About N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide

N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide (PubChem CID 7321963) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide
PubChem CID7321963
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide
SMILESC[C@@H](CNC(=O)C(=O)NC1CCCCC1)CN(C)C
InChIInChI=1S/C14H27N3O2/c1-11(10-17(2)3)9-15-13(18)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyYTPKAWMLGNZALB-NSHDSACASA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
N'-cyclohexyl-N-(2-methoxybutyl)oxamide
CID 142887799
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
CID 82938571
N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886617
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide (CID 7321963) is N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide is C[C@@H](CNC(=O)C(=O)NC1CCCCC1)CN(C)C.
What is the InChIKey of N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide?
The InChIKey is YTPKAWMLGNZALB-NSHDSACASA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(10-17(2)3)9-15-13(18)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide?
N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide is sourced from PubChem (CID 7321963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).