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

C17H38N4O3 — CID 142546360

IUPACformamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine
SMILESCCCNC.CCCNC(C(=O)NCC(=O)CC)C(C)C.NC=O
InChIInChI=1S/C12H24N2O2.C4H11N.CH3NO/c1-5-7-13-11(9(3)4)12(16)14-8-10(15)6-2;1-3-4-5-2;2-1-3/h9,11,13H,5-8H2,1-4H3,(H,14,16);5H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyPVOIRQBLTFZPSN-UHFFFAOYSA-N
MW346.52 g/mol
LogP0.82
Rot. Bonds10

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

formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine (PubChem CID 142546360) has the molecular formula C17H38N4O3 and a molecular weight of 346.52 g/mol. Its IUPAC name is formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine.

Molecular Properties

Compound Nameformamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine
PubChem CID142546360
Molecular FormulaC17H38N4O3
Molecular Weight346.52 g/mol
Exact Mass346.29
IUPAC Nameformamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine
SMILESCCCNC.CCCNC(C(=O)NCC(=O)CC)C(C)C.NC=O
InChIInChI=1S/C12H24N2O2.C4H11N.CH3NO/c1-5-7-13-11(9(3)4)12(16)14-8-10(15)6-2;1-3-4-5-2;2-1-3/h9,11,13H,5-8H2,1-4H3,(H,14,16);5H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyPVOIRQBLTFZPSN-UHFFFAOYSA-N
XLogP0.82
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 50.82
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)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(S)-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethyl]-butyramide
CID 10503801
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(S)-2-methyl-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-propyl]-butyramide
CID 10504899
(S)-2-((S)-2-Acetylamino-3-methyl-butanoylamino)-3-methyl-N-[(R)-1-(3,3,3-trifluoro-1-methyl-2-oxo-propylcarbamoyl)-ethyl]-butyramide
CID 10647279
Chrysosporide
CID 16091636
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
Luminmide B
CID 101582539
Xenotetrapeptide
CID 145720651

Frequently Asked Questions

What is the IUPAC name of formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine?
The IUPAC name of formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine (CID 142546360) is formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine.
What is the SMILES notation for formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine?
The canonical SMILES for formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine is CCCNC.CCCNC(C(=O)NCC(=O)CC)C(C)C.NC=O.
What is the InChIKey of formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine?
The InChIKey is PVOIRQBLTFZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C4H11N.CH3NO/c1-5-7-13-11(9(3)4)12(16)14-8-10(15)6-2;1-3-4-5-2;2-1-3/h9,11,13H,5-8H2,1-4H3,(H,14,16);5H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine?
formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine has a molecular weight of 346.52 g/mol, XLogP of 0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-methyl-N-(2-oxobutyl)-2-(propylamino)butanamide;N-methylpropan-1-amine is sourced from PubChem (CID 142546360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).