ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide

C17H38N2O2 — CID 143357636

IUPACethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide
SMILESCC.CCC(CC(C)C)C(=O)N[C@H](C)CC(C)C.NC=O
InChIInChI=1S/C14H29NO.C2H6.CH3NO/c1-7-13(9-11(4)5)14(16)15-12(6)8-10(2)3;1-2;2-1-3/h10-13H,7-9H2,1-6H3,(H,15,16);1-2H3;1H,(H2,2,3)/t12-,13?;;/m1../s1
InChIKeyMBPDIIDKQJWXQY-DQOPGJMCSA-N
MW302.50 g/mol
LogP3.74
Rot. Bonds7

About ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide

ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide (PubChem CID 143357636) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide
PubChem CID143357636
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Nameethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide
SMILESCC.CCC(CC(C)C)C(=O)N[C@H](C)CC(C)C.NC=O
InChIInChI=1S/C14H29NO.C2H6.CH3NO/c1-7-13(9-11(4)5)14(16)15-12(6)8-10(2)3;1-2;2-1-3/h10-13H,7-9H2,1-6H3,(H,15,16);1-2H3;1H,(H2,2,3)/t12-,13?;;/m1../s1
InChIKeyMBPDIIDKQJWXQY-DQOPGJMCSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylleucyl-leucyl-norleucinal
CID 443118
Ac-Leu-Leu-Leu-al
CID 9864840
Pentanamide, N-(1-(1-oxo-2-propylpentyl)-4-piperidinyl)-2-propyl-
CID 3075854
Valeramide, N-isopropyl-2-propyl-
CID 200920
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
CID 2931883
Ac-Ile-Leu-Lys-al
CID 10000942
cyclo[DL-Leu-DL-Leu-DL-xiIle-DL-Leu-DL-xiIle]
CID 559969
2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl-butylcarbamoyl)-3-methyl-butyl]-amide
CID 9999177
cyclo[Ile-Leu-Ile-Leu]
CID 10961409
CID 11060698
CID 11060698
Halolitoralin C
CID 11812205
3,9-Di(butan-2-yl)-6-(2-methylpropyl)-12-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 21776939

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide?
The IUPAC name of ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide (CID 143357636) is ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide.
What is the SMILES notation for ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide?
The canonical SMILES for ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide is CC.CCC(CC(C)C)C(=O)N[C@H](C)CC(C)C.NC=O.
What is the InChIKey of ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide?
The InChIKey is MBPDIIDKQJWXQY-DQOPGJMCSA-N. The full InChI is InChI=1S/C14H29NO.C2H6.CH3NO/c1-7-13(9-11(4)5)14(16)15-12(6)8-10(2)3;1-2;2-1-3/h10-13H,7-9H2,1-6H3,(H,15,16);1-2H3;1H,(H2,2,3)/t12-,13?;;/m1../s1.
What are the key properties of ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide?
ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide has a molecular weight of 302.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-N-[(2R)-4-methylpentan-2-yl]pentanamide;formamide is sourced from PubChem (CID 143357636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).