N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

About N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide

N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 89278461) has the molecular formula C30H44N4O2 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name	N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
PubChem CID	89278461
Molecular Formula	C30H44N4O2
Molecular Weight	492.71 g/mol
Exact Mass	492.35
IUPAC Name	N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
SMILES	C=C/C=C(\C=C(/N)c1cc(C)cc(C)c1)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1
InChI	InChI=1S/C30H44N4O2/c1-6-11-24(19-26(31)25-17-20(2)16-21(3)18-25)27-14-10-15-34(27)30(36)28(23-12-8-7-9-13-23)33-29(35)22(4)32-5/h6,11,16-19,22-23,27-28,32H,1,7-10,12-15,31H2,2-5H3,(H,33,35)/b24-11+,26-19-
InChIKey	YGCCOEBDKPYDHE-KKMJCTQTSA-N
XLogP	4.38
TPSA	87.46 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.71
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?

The IUPAC name of N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide (CID 89278461) is N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide.

What is the SMILES notation for N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?

The canonical SMILES for N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide is C=C/C=C(\C=C(/N)c1cc(C)cc(C)c1)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1.

What is the InChIKey of N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?

The InChIKey is YGCCOEBDKPYDHE-KKMJCTQTSA-N. The full InChI is InChI=1S/C30H44N4O2/c1-6-11-24(19-26(31)25-17-20(2)16-21(3)18-25)27-14-10-15-34(27)30(36)28(23-12-8-7-9-13-23)33-29(35)22(4)32-5/h6,11,16-19,22-23,27-28,32H,1,7-10,12-15,31H2,2-5H3,(H,33,35)/b24-11+,26-19-.

What are the key properties of N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide?

N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 492.71 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(1Z,3E)-1-amino-1-(3,5-dimethylphenyl)hexa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 89278461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).