N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide

C12H21N3O2 — CID 129136699

IUPACN-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H](C=O)CC1=CNCN1
InChIInChI=1S/C12H21N3O2/c1-9(2)3-4-12(17)15-11(7-16)5-10-6-13-8-14-10/h6-7,9,11,13-14H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyIWDPDAWBHWHOSK-NSHDSACASA-N
MW239.32 g/mol
LogP0.49
Rot. Bonds7

About N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide

N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide (PubChem CID 129136699) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide
PubChem CID129136699
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H](C=O)CC1=CNCN1
InChIInChI=1S/C12H21N3O2/c1-9(2)3-4-12(17)15-11(7-16)5-10-6-13-8-14-10/h6-7,9,11,13-14H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyIWDPDAWBHWHOSK-NSHDSACASA-N
XLogP0.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide (CID 129136699) is N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide is CC(C)CCC(=O)N[C@H](C=O)CC1=CNCN1.
What is the InChIKey of N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide?
The InChIKey is IWDPDAWBHWHOSK-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)3-4-12(17)15-11(7-16)5-10-6-13-8-14-10/h6-7,9,11,13-14H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide?
N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 129136699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).