N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide

C22H41N3O2 — CID 90780319

IUPACN-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(CC1CC=CCC1)C(=O)NC(C(C)N)C(C)CC
InChIInChI=1S/C22H41N3O2/c1-6-11-16(4)21(26)24-19(14-18-12-9-8-10-13-18)22(27)25-20(17(5)23)15(3)7-2/h8-9,15-20H,6-7,10-14,23H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyOXSSKELTFLMNNL-UHFFFAOYSA-N
MW379.59 g/mol
LogP3.53
Rot. Bonds11

About N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide

N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide (PubChem CID 90780319) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide
PubChem CID90780319
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC NameN-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(CC1CC=CCC1)C(=O)NC(C(C)N)C(C)CC
InChIInChI=1S/C22H41N3O2/c1-6-11-16(4)21(26)24-19(14-18-12-9-8-10-13-18)22(27)25-20(17(5)23)15(3)7-2/h8-9,15-20H,6-7,10-14,23H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyOXSSKELTFLMNNL-UHFFFAOYSA-N
XLogP3.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide?
The IUPAC name of N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide (CID 90780319) is N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide.
What is the SMILES notation for N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide?
The canonical SMILES for N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide is CCCC(C)C(=O)NC(CC1CC=CCC1)C(=O)NC(C(C)N)C(C)CC.
What is the InChIKey of N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide?
The InChIKey is OXSSKELTFLMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-6-11-16(4)21(26)24-19(14-18-12-9-8-10-13-18)22(27)25-20(17(5)23)15(3)7-2/h8-9,15-20H,6-7,10-14,23H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide?
N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide has a molecular weight of 379.59 g/mol, XLogP of 3.53, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide is sourced from PubChem (CID 90780319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).