ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine

C18H42N4O3 — CID 156850261

IUPACethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine
SMILESCC.CCCNC.CNC(C(=O)NCC(=O)C(C)C)C(C)C.NC=O
InChIInChI=1S/C11H22N2O2.C4H11N.C2H6.CH3NO/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4;1-3-4-5-2;1-2;2-1-3/h7-8,10,12H,6H2,1-5H3,(H,13,15);5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyWVTIHHLRSMOFKR-UHFFFAOYSA-N
MW362.56 g/mol
LogP1.32
Rot. Bonds8

About ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine

ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine (PubChem CID 156850261) has the molecular formula C18H42N4O3 and a molecular weight of 362.56 g/mol. Its IUPAC name is ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine
PubChem CID156850261
Molecular FormulaC18H42N4O3
Molecular Weight362.56 g/mol
Exact Mass362.33
IUPAC Nameethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine
SMILESCC.CCCNC.CNC(C(=O)NCC(=O)C(C)C)C(C)C.NC=O
InChIInChI=1S/C11H22N2O2.C4H11N.C2H6.CH3NO/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4;1-3-4-5-2;1-2;2-1-3/h7-8,10,12H,6H2,1-5H3,(H,13,15);5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyWVTIHHLRSMOFKR-UHFFFAOYSA-N
XLogP1.32
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine
CID 142546360
ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
CID 145216505
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
2-amino-N-propylpropanamide;ethane
CID 142837247
ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 163289881
ethane;(4-methylcyclohexyl)methanamine;3-methyl-2-(methylamino)-N-(2-oxopropyl)butanamide
CID 144997499
(2S)-2-amino-6-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-N-(2-oxopropyl)hexanamide
CID 171408391
benzyl N-[(2S)-3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]carbamate
CID 167089233
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
CID 141214116
(3-methyl-2-oxobutyl)urea
CID 20600814

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine?
The IUPAC name of ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine (CID 156850261) is ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine.
What is the SMILES notation for ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine?
The canonical SMILES for ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine is CC.CCCNC.CNC(C(=O)NCC(=O)C(C)C)C(C)C.NC=O.
What is the InChIKey of ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine?
The InChIKey is WVTIHHLRSMOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C4H11N.C2H6.CH3NO/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4;1-3-4-5-2;1-2;2-1-3/h7-8,10,12H,6H2,1-5H3,(H,13,15);5H,3-4H2,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine?
ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine has a molecular weight of 362.56 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine is sourced from PubChem (CID 156850261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).