N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide

C22H32N2O2 — CID 100930228

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide
SMILESC=C(C)C1CC=C(CNCC(=O)NC(C)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)20-9-5-19(6-10-20)14-23-15-22(25)24-17(3)13-18-7-11-21(26-4)12-8-18/h5,7-8,11-12,17,20,23H,1,6,9-10,13-15H2,2-4H3,(H,24,25)
InChIKeyIZDZASMZRYDHKW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.63
Rot. Bonds9

About N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide

N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide (PubChem CID 100930228) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide
PubChem CID100930228
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide
SMILESC=C(C)C1CC=C(CNCC(=O)NC(C)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)20-9-5-19(6-10-20)14-23-15-22(25)24-17(3)13-18-7-11-21(26-4)12-8-18/h5,7-8,11-12,17,20,23H,1,6,9-10,13-15H2,2-4H3,(H,24,25)
InChIKeyIZDZASMZRYDHKW-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
[2-ethyl-9-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrido[2,3-b]indol-3-yl]-(4-methoxyphenyl)methanone
CID 11202117
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
CID 134301847
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 2-methoxybenzoate
CID 101152308
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide (CID 100930228) is N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide is C=C(C)C1CC=C(CNCC(=O)NC(C)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide?
The InChIKey is IZDZASMZRYDHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16(2)20-9-5-19(6-10-20)14-23-15-22(25)24-17(3)13-18-7-11-21(26-4)12-8-18/h5,7-8,11-12,17,20,23H,1,6,9-10,13-15H2,2-4H3,(H,24,25).
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide?
N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylamino]acetamide is sourced from PubChem (CID 100930228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).