N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide

C15H26N2O3 — CID 134349839

IUPACN-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide
SMILESCC(C)CN(C=O)C(C(=O)C(=O)NCC1CC1)C(C)C
InChIInChI=1S/C15H26N2O3/c1-10(2)8-17(9-18)13(11(3)4)14(19)15(20)16-7-12-5-6-12/h9-13H,5-8H2,1-4H3,(H,16,20)
InChIKeyFHYICACJKJPJGS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.22
Rot. Bonds9

About N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide

N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide (PubChem CID 134349839) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide
PubChem CID134349839
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide
SMILESCC(C)CN(C=O)C(C(=O)C(=O)NCC1CC1)C(C)C
InChIInChI=1S/C15H26N2O3/c1-10(2)8-17(9-18)13(11(3)4)14(19)15(20)16-7-12-5-6-12/h9-13H,5-8H2,1-4H3,(H,16,20)
InChIKeyFHYICACJKJPJGS-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-[formyl(oxolan-3-ylmethyl)amino]-5-methyl-2-oxohexanamide
CID 139335055
3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-oxobutanamide
CID 175329654
N-(cyclopropylmethyl)-3-[formyl(piperidin-4-ylmethyl)amino]-2-oxobutanamide;2,2,2-trifluoroacetic acid
CID 175818543
N-(cyclopropylmethyl)-3-(N-formyl-3-methylanilino)-2-oxobutanamide
CID 134349743
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]cyclohexanecarboxamide
CID 139335032
2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
N-(cyclopropylmethyl)-N'-[(2S)-2-[[2-(cyclopropylmethylamino)-2-oxoacetyl]amino]-4-methylpentyl]oxamide
CID 124874824
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
(E)-N-(cyclopropylmethyl)-5-methylhex-2-enamide
CID 134349628

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide (CID 134349839) is N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide is CC(C)CN(C=O)C(C(=O)C(=O)NCC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide?
The InChIKey is FHYICACJKJPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)8-17(9-18)13(11(3)4)14(19)15(20)16-7-12-5-6-12/h9-13H,5-8H2,1-4H3,(H,16,20).
What are the key properties of N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide?
N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide has a molecular weight of 282.38 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[formyl(2-methylpropyl)amino]-4-methyl-2-oxopentanamide is sourced from PubChem (CID 134349839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).