N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide

C12H22N2O3 — CID 95984687

IUPACN'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(15)6-7-13-10(16)11(17)14-8-4-5-8/h8-9,15H,4-7H2,1-3H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyDQHACLNADOUOLY-VIFPVBQESA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds4

About N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide

N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide (PubChem CID 95984687) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
PubChem CID95984687
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(15)6-7-13-10(16)11(17)14-8-4-5-8/h8-9,15H,4-7H2,1-3H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyDQHACLNADOUOLY-VIFPVBQESA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 71787636
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354
3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7321968
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide (CID 95984687) is N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide is CC(C)(C)[C@@H](O)CCNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide?
The InChIKey is DQHACLNADOUOLY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(15)6-7-13-10(16)11(17)14-8-4-5-8/h8-9,15H,4-7H2,1-3H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide?
N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide is sourced from PubChem (CID 95984687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).