(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide

C20H32N2O2 — CID 90350745

IUPAC(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide
SMILESC=C/C(=C\C(C)C)CC(=O)N[C@@H](CC(/C=C\C)=C/CC)C(=O)NC
InChIInChI=1S/C20H32N2O2/c1-7-10-17(11-8-2)13-18(20(24)21-6)22-19(23)14-16(9-3)12-15(4)5/h7,9-12,15,18H,3,8,13-14H2,1-2,4-6H3,(H,21,24)(H,22,23)/b10-7-,16-12+,17-11+/t18-/m0/s1
InChIKeyNEXKJWRVZVRPCZ-RVTYYBHKSA-N
MW332.49 g/mol
LogP3.68
Rot. Bonds10

About (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide

(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide (PubChem CID 90350745) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide.

Molecular Properties

Compound Name(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide
PubChem CID90350745
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide
SMILESC=C/C(=C\C(C)C)CC(=O)N[C@@H](CC(/C=C\C)=C/CC)C(=O)NC
InChIInChI=1S/C20H32N2O2/c1-7-10-17(11-8-2)13-18(20(24)21-6)22-19(23)14-16(9-3)12-15(4)5/h7,9-12,15,18H,3,8,13-14H2,1-2,4-6H3,(H,21,24)(H,22,23)/b10-7-,16-12+,17-11+/t18-/m0/s1
InChIKeyNEXKJWRVZVRPCZ-RVTYYBHKSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 86696154
CID 86696154
CID 91413361
CID 91413361
CID 145077821
CID 145077821
CID 145077823
CID 145077823
CID 156899608
CID 156899608
CID 169180608
CID 169180608
CID 169180657
CID 169180657
CID 46919632
CID 46919632
CID 142221363
CID 142221363
CID 145513366
CID 145513366
CID 24755409
CID 24755409
CID 53235045
CID 53235045

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide?
The IUPAC name of (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide (CID 90350745) is (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide.
What is the SMILES notation for (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide?
The canonical SMILES for (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide is C=C/C(=C\C(C)C)CC(=O)N[C@@H](CC(/C=C\C)=C/CC)C(=O)NC.
What is the InChIKey of (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide?
The InChIKey is NEXKJWRVZVRPCZ-RVTYYBHKSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-10-17(11-8-2)13-18(20(24)21-6)22-19(23)14-16(9-3)12-15(4)5/h7,9-12,15,18H,3,8,13-14H2,1-2,4-6H3,(H,21,24)(H,22,23)/b10-7-,16-12+,17-11+/t18-/m0/s1.
What are the key properties of (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide?
(Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide has a molecular weight of 332.49 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-[[(Z)-3-ethenyl-5-methylhex-3-enoyl]amino]-N-methyl-4-[(Z)-prop-1-enyl]hept-4-enamide is sourced from PubChem (CID 90350745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).