N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide

C20H38N4O2 — CID 90294687

IUPACN-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N/C(N)=N/[C@H](CC1CCCCC1)C(=O)NCC(C)C
InChIInChI=1S/C20H38N4O2/c1-14(2)10-11-18(25)24-20(21)23-17(19(26)22-13-15(3)4)12-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,22,26)(H3,21,23,24,25)/t17-/m1/s1
InChIKeySTQLSNUWUFHVIX-QGZVFWFLSA-N
MW366.55 g/mol
LogP2.96
Rot. Bonds9

About N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide

N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide (PubChem CID 90294687) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide
PubChem CID90294687
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC NameN-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N/C(N)=N/[C@H](CC1CCCCC1)C(=O)NCC(C)C
InChIInChI=1S/C20H38N4O2/c1-14(2)10-11-18(25)24-20(21)23-17(19(26)22-13-15(3)4)12-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,22,26)(H3,21,23,24,25)/t17-/m1/s1
InChIKeySTQLSNUWUFHVIX-QGZVFWFLSA-N
XLogP2.96
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide?
The IUPAC name of N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide (CID 90294687) is N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide.
What is the SMILES notation for N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide?
The canonical SMILES for N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide is CC(C)CCC(=O)N/C(N)=N/[C@H](CC1CCCCC1)C(=O)NCC(C)C.
What is the InChIKey of N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide?
The InChIKey is STQLSNUWUFHVIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-14(2)10-11-18(25)24-20(21)23-17(19(26)22-13-15(3)4)12-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,22,26)(H3,21,23,24,25)/t17-/m1/s1.
What are the key properties of N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide?
N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide has a molecular weight of 366.55 g/mol, XLogP of 2.96, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[(2R)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamimidoyl]-4-methylpentanamide is sourced from PubChem (CID 90294687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).